N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine

C16H25NOS — CID 103786632

IUPACN-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCCC(NC1CCCC1SC)c1ccc(OC)cc1
InChIInChI=1S/C16H25NOS/c1-4-14(12-8-10-13(18-2)11-9-12)17-15-6-5-7-16(15)19-3/h8-11,14-17H,4-7H2,1-3H3
InChIKeyXFDWRFJZXCEHTC-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.02
Rot. Bonds6

About N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine

N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103786632) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID103786632
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCCC(NC1CCCC1SC)c1ccc(OC)cc1
InChIInChI=1S/C16H25NOS/c1-4-14(12-8-10-13(18-2)11-9-12)17-15-6-5-7-16(15)19-3/h8-11,14-17H,4-7H2,1-3H3
InChIKeyXFDWRFJZXCEHTC-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
CID 43080624
N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine
CID 114285157
N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113250286
3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine
CID 103904067
N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine
CID 115707061
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786580
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine
CID 63359865
3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile
CID 114121615
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79352429
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine (CID 103786632) is N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine is CCC(NC1CCCC1SC)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is XFDWRFJZXCEHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-4-14(12-8-10-13(18-2)11-9-12)17-15-6-5-7-16(15)19-3/h8-11,14-17H,4-7H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine?
N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103786632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).