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

C26H29NOS — CID 158227741

IUPAC(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene
SMILESCN(C)CC[C@H](Oc1cccc2ccccc12)c1cccs1.Cc1ccccc1
InChIInChI=1S/C19H21NOS.C7H8/c1-20(2)13-12-18(19-11-6-14-22-19)21-17-10-5-8-15-7-3-4-9-16(15)17;1-7-5-3-2-4-6-7/h3-11,14,18H,12-13H2,1-2H3;2-6H,1H3/t18-;/m0./s1
InChIKeyGDZWDPKEUYBLHM-FERBBOLQSA-N
MW403.59 g/mol
LogP6.97
Rot. Bonds6

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

(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene (PubChem CID 158227741) has the molecular formula C26H29NOS and a molecular weight of 403.59 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene
PubChem CID158227741
Molecular FormulaC26H29NOS
Molecular Weight403.59 g/mol
Exact Mass403.20
IUPAC Name(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene
SMILESCN(C)CC[C@H](Oc1cccc2ccccc12)c1cccs1.Cc1ccccc1
InChIInChI=1S/C19H21NOS.C7H8/c1-20(2)13-12-18(19-11-6-14-22-19)21-17-10-5-8-15-7-3-4-9-16(15)17;1-7-5-3-2-4-6-7/h3-11,14,18H,12-13H2,1-2H3;2-6H,1H3/t18-;/m0./s1
InChIKeyGDZWDPKEUYBLHM-FERBBOLQSA-N
XLogP6.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.59
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide
CID 169490797
1,3-dimethyl-1,3-bis(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)urea
CID 54756197
N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamoyl iodide
CID 88909271
4-[methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]amino]-4-oxobutanoic acid
CID 86278283
(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
3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine
CID 151174384
(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
CID 59167065
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
CID 11639633
acetic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 67283492
(Z)-but-2-enedioic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 23649462

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene?
The IUPAC name of (3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene (CID 158227741) is (3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene.
What is the SMILES notation for (3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene?
The canonical SMILES for (3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene is CN(C)CC[C@H](Oc1cccc2ccccc12)c1cccs1.Cc1ccccc1.
What is the InChIKey of (3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene?
The InChIKey is GDZWDPKEUYBLHM-FERBBOLQSA-N. The full InChI is InChI=1S/C19H21NOS.C7H8/c1-20(2)13-12-18(19-11-6-14-22-19)21-17-10-5-8-15-7-3-4-9-16(15)17;1-7-5-3-2-4-6-7/h3-11,14,18H,12-13H2,1-2H3;2-6H,1H3/t18-;/m0./s1.
What are the key properties of (3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene?
(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene has a molecular weight of 403.59 g/mol, XLogP of 6.97, 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-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene is sourced from PubChem (CID 158227741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).