3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine

C18H23NS — CID 20573271

IUPAC3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C18H23NS/c1-19(2)14-6-9-16-10-12-18(13-11-16)20-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3
InChIKeyKKZDUZXQOLDKAP-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.47
Rot. Bonds7

About 3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine

3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 20573271) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine
PubChem CID20573271
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C18H23NS/c1-19(2)14-6-9-16-10-12-18(13-11-16)20-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3
InChIKeyKKZDUZXQOLDKAP-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-benzylsulfanylphenyl)propan-1-ol
CID 156821984
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine
CID 170865314
1-benzylsulfanyl-4-methylbenzene
CID 10940369
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
N,N-dimethyl-3-phenylpropan-1-amine;nitric acid
CID 173132707
3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573468
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
N,N-dimethyl-4,8-diphenyloctan-1-amine
CID 13230987

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine (CID 20573271) is 3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(SCc2ccccc2)cc1.
What is the InChIKey of 3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is KKZDUZXQOLDKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-19(2)14-6-9-16-10-12-18(13-11-16)20-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3.
What are the key properties of 3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 20573271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).