[1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine

C13H19NS — CID 116928998

IUPAC[1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine
SMILESCCSc1ccc(CC2(CN)CC2)cc1
InChIInChI=1S/C13H19NS/c1-2-15-12-5-3-11(4-6-12)9-13(10-14)7-8-13/h3-6H,2,7-10,14H2,1H3
InChIKeyOLPNONQFOPUUBG-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.08
Rot. Bonds5

About [1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine

[1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine (PubChem CID 116928998) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is [1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine
PubChem CID116928998
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name[1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine
SMILESCCSc1ccc(CC2(CN)CC2)cc1
InChIInChI=1S/C13H19NS/c1-2-15-12-5-3-11(4-6-12)9-13(10-14)7-8-13/h3-6H,2,7-10,14H2,1H3
InChIKeyOLPNONQFOPUUBG-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylsulfanylphenyl)methanamine
CID 12842467
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151
[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine
CID 116928971
[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine
CID 116929036
[4-[[1-(aminomethyl)cyclopentyl]methyl]phenyl]methanol
CID 18999623
[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82401788
2-[(4-ethylsulfanylphenyl)methyl]butan-1-amine
CID 116930905
[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423125
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 115244133
2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol
CID 67025850
1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 116947074
(1-benzylcycloheptyl)methanamine
CID 65391702

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine (CID 116928998) is [1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine is CCSc1ccc(CC2(CN)CC2)cc1.
What is the InChIKey of [1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine?
The InChIKey is OLPNONQFOPUUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-15-12-5-3-11(4-6-12)9-13(10-14)7-8-13/h3-6H,2,7-10,14H2,1H3.
What are the key properties of [1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine?
[1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine has a molecular weight of 221.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine is sourced from PubChem (CID 116928998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).