N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine

C14H21NS — CID 62770210

IUPACN-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
SMILESCc1ccccc1CSCCNCC1CC1
InChIInChI=1S/C14H21NS/c1-12-4-2-3-5-14(12)11-16-9-8-15-10-13-6-7-13/h2-5,13,15H,6-11H2,1H3
InChIKeyWIWWUVPYBKXATC-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.23
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine

N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine (PubChem CID 62770210) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
PubChem CID62770210
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
SMILESCc1ccccc1CSCCNCC1CC1
InChIInChI=1S/C14H21NS/c1-12-4-2-3-5-14(12)11-16-9-8-15-10-13-6-7-13/h2-5,13,15H,6-11H2,1H3
InChIKeyWIWWUVPYBKXATC-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

2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 115703224
2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine
CID 60665212
3-methyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclohexan-1-amine
CID 63515649
2-[(2-methylphenyl)methylsulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62771250
1-methyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 132650320
4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one
CID 115240249
cis-(1R,3S)-3-hydroxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclohexane-1-carboxamide
CID 133267041
4-fluoro-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]aniline
CID 63515979
N-cycloheptyl-3-[(2-methylphenyl)methylsulfanyl]propanamide
CID 4193377
N-(cyclopropylmethyl)-2-ethylsulfanylethanamine
CID 62578386
(3R)-1-acetyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 97195010
2-(cyclopropylmethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide;hydrochloride
CID 119688191

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine (CID 62770210) is N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine is Cc1ccccc1CSCCNCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine?
The InChIKey is WIWWUVPYBKXATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-12-4-2-3-5-14(12)11-16-9-8-15-10-13-6-7-13/h2-5,13,15H,6-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine?
N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]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 N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine is sourced from PubChem (CID 62770210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).