N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine

C15H22BrNS — CID 114122786

IUPACN-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCCC(NC1CCC(SC)C1)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNS/c1-3-15(11-4-6-12(16)7-5-11)17-13-8-9-14(10-13)18-2/h4-7,13-15,17H,3,8-10H2,1-2H3
InChIKeyJIAWXNCDQNCKIW-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.77
Rot. Bonds5

About N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine

N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine (PubChem CID 114122786) has the molecular formula C15H22BrNS and a molecular weight of 328.32 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine
PubChem CID114122786
Molecular FormulaC15H22BrNS
Molecular Weight328.32 g/mol
Exact Mass327.07
IUPAC NameN-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCCC(NC1CCC(SC)C1)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNS/c1-3-15(11-4-6-12(16)7-5-11)17-13-8-9-14(10-13)18-2/h4-7,13-15,17H,3,8-10H2,1-2H3
InChIKeyJIAWXNCDQNCKIW-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine
CID 43223922
N-[1-(4-bromophenyl)propyl]-3-methoxycyclopentan-1-amine
CID 103080693
3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 103784503
N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine
CID 80705179
N-[1-(4-bromophenyl)propyl]thian-3-amine
CID 62872897
2-[1-[(3-methylsulfanylcyclohexyl)amino]propyl]phenol
CID 104924871
N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113245740
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 102612848
N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223945
N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine
CID 115905990
4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine (CID 114122786) is N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine is CCC(NC1CCC(SC)C1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is JIAWXNCDQNCKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNS/c1-3-15(11-4-6-12(16)7-5-11)17-13-8-9-14(10-13)18-2/h4-7,13-15,17H,3,8-10H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine?
N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 328.32 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 114122786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).