2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine

C15H19NS — CID 66225193

IUPAC2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine
SMILESCC(CN)CSCc1cccc2ccccc12
InChIInChI=1S/C15H19NS/c1-12(9-16)10-17-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11,16H2,1H3
InChIKeySVXATVZFRRLVTG-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.67
Rot. Bonds5

About 2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine

2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine (PubChem CID 66225193) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine
PubChem CID66225193
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine
SMILESCC(CN)CSCc1cccc2ccccc12
InChIInChI=1S/C15H19NS/c1-12(9-16)10-17-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11,16H2,1H3
InChIKeySVXATVZFRRLVTG-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226526
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
2-[(3-amino-2-methylpropyl)sulfanylmethyl]benzonitrile
CID 66226303
4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
CID 120590294
(2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide
CID 94192877
2-methylpropan-2-amine;naphthalen-1-ylmethanamine
CID 142317452
4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one
CID 116564413
N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 134058118
3-[(2-bromo-5-fluorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226350
2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine
CID 66224733
2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine
CID 115202803
2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride
CID 119304338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine (CID 66225193) is 2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine is CC(CN)CSCc1cccc2ccccc12.
What is the InChIKey of 2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine?
The InChIKey is SVXATVZFRRLVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-12(9-16)10-17-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11,16H2,1H3.
What are the key properties of 2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine?
2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(naphthalen-1-ylmethylsulfanyl)propan-1-amine is sourced from PubChem (CID 66225193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).