(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine

C19H21NOS — CID 59167065

IUPAC(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CC[C@H](Oc1ccc2ccccc2c1)c1cccs1
InChIInChI=1S/C19H21NOS/c1-20(2)12-11-18(19-8-5-13-22-19)21-17-10-9-15-6-3-4-7-16(15)14-17/h3-10,13-14,18H,11-12H2,1-2H3/t18-/m0/s1
InChIKeyFMODQCMTWYDCMU-SFHVURJKSA-N
MW311.45 g/mol
LogP4.97
Rot. Bonds6

About (3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine

(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine (PubChem CID 59167065) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
PubChem CID59167065
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CC[C@H](Oc1ccc2ccccc2c1)c1cccs1
InChIInChI=1S/C19H21NOS/c1-20(2)12-11-18(19-8-5-13-22-19)21-17-10-9-15-6-3-4-7-16(15)14-17/h3-10,13-14,18H,11-12H2,1-2H3/t18-/m0/s1
InChIKeyFMODQCMTWYDCMU-SFHVURJKSA-N
XLogP4.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;(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 158318321
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 68611917
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
(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene
CID 158227741
1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine
CID 10623767
(2R,3R)-2,3-bis[(4-methoxybenzoyl)oxy]butanedioic acid;(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 68591919
N-benzyl-N-methyl-3-(4-methylphenoxy)-3-thiophen-2-ylpropan-1-amine
CID 42867719
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
CID 146397594
1,3-dimethyl-1,3-bis(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)urea
CID 54756197
3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine
CID 112501785
N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamoyl iodide
CID 88909271

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine (CID 59167065) is (3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine is CN(C)CC[C@H](Oc1ccc2ccccc2c1)c1cccs1.
What is the InChIKey of (3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine?
The InChIKey is FMODQCMTWYDCMU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NOS/c1-20(2)12-11-18(19-8-5-13-22-19)21-17-10-9-15-6-3-4-7-16(15)14-17/h3-10,13-14,18H,11-12H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine?
(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine has a molecular weight of 311.45 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 59167065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).