N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine

C16H25NOS — CID 103775345

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCOc1ccc(CCNC2CCCCC2SC)cc1
InChIInChI=1S/C16H25NOS/c1-18-14-9-7-13(8-10-14)11-12-17-15-5-3-4-6-16(15)19-2/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyIKTOUIPTPWYQSM-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine

N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 103775345) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID103775345
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCOc1ccc(CCNC2CCCCC2SC)cc1
InChIInChI=1S/C16H25NOS/c1-18-14-9-7-13(8-10-14)11-12-17-15-5-3-4-6-16(15)19-2/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyIKTOUIPTPWYQSM-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776401
trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 791634
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 103777301
2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43082252
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine
CID 118993498
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 113243458
trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine (CID 103775345) is N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine is COc1ccc(CCNC2CCCCC2SC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is IKTOUIPTPWYQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-18-14-9-7-13(8-10-14)11-12-17-15-5-3-4-6-16(15)19-2/h7-10,15-17H,3-6,11-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine?
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103775345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).