N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine

C19H29N3OS — CID 138738442

IUPACN-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCNCC[C@@H](Oc1ccccc1NCCN(C)C)c1cccs1
InChIInChI=1S/C19H29N3OS/c1-4-20-12-11-18(19-10-7-15-24-19)23-17-9-6-5-8-16(17)21-13-14-22(2)3/h5-10,15,18,20-21H,4,11-14H2,1-3H3/t18-/m1/s1
InChIKeyOSNRBPRFNJDEFE-GOSISDBHSA-N
MW347.53 g/mol
LogP3.84
Rot. Bonds11

About N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine

N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 138738442) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID138738442
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC NameN-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCNCC[C@@H](Oc1ccccc1NCCN(C)C)c1cccs1
InChIInChI=1S/C19H29N3OS/c1-4-20-12-11-18(19-10-7-15-24-19)23-17-9-6-5-8-16(17)21-13-14-22(2)3/h5-10,15,18,20-21H,4,11-14H2,1-3H3/t18-/m1/s1
InChIKeyOSNRBPRFNJDEFE-GOSISDBHSA-N
XLogP3.84
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 159846692
(3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
CID 135178793
1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
CID 138723905
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 68611917
N-[1-[2-[[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]anilino]methoxy]ethyl]piperidin-4-yl]-N-phenylpropanamide;molecular hydrogen
CID 153332312
(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene
CID 158227741
(3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
CID 141469000
(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
CID 59167065
N-methyl-3-[2-[2-(methylamino)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 138738146
(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
CID 161149333
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
CID 146397594

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine (CID 138738442) is N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine is CCNCC[C@@H](Oc1ccccc1NCCN(C)C)c1cccs1.
What is the InChIKey of N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is OSNRBPRFNJDEFE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-4-20-12-11-18(19-10-7-15-24-19)23-17-9-6-5-8-16(17)21-13-14-22(2)3/h5-10,15,18,20-21H,4,11-14H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 347.53 g/mol, XLogP of 3.84, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 138738442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).