2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine

C14H21NS — CID 115703224

IUPAC2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNCCSCC1CC1
InChIInChI=1S/C14H21NS/c1-12-4-2-3-5-14(12)10-15-8-9-16-11-13-6-7-13/h2-5,13,15H,6-11H2,1H3
InChIKeyFPPWPMAHJSEKLV-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.23
Rot. Bonds7

About 2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine

2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 115703224) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID115703224
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNCCSCC1CC1
InChIInChI=1S/C14H21NS/c1-12-4-2-3-5-14(12)10-15-8-9-16-11-13-6-7-13/h2-5,13,15H,6-11H2,1H3
InChIKeyFPPWPMAHJSEKLV-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 62770210
N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658226
2-(cyclopropylmethylsulfanyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 115703209
4-[[(2-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 5019663
2-[(2-methylphenyl)methylsulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62771250
N-[(2-methylphenyl)methyl]dodecan-1-amine
CID 60663920
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine
CID 107320214
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
ethyl 4-[[(2-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylate chloride
CID 53351025
N-[(2,3-dimethylphenyl)methyl]-2-prop-2-enylsulfanylethanamine;hydrochloride
CID 115615243

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine (CID 115703224) is 2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine is Cc1ccccc1CNCCSCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is FPPWPMAHJSEKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-12-4-2-3-5-14(12)10-15-8-9-16-11-13-6-7-13/h2-5,13,15H,6-11H2,1H3.
What are the key properties of 2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine?
2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115703224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).