N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine

C14H19BrClNS — CID 114122903

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCC(NCc2ccc(Br)cc2Cl)C1
InChIInChI=1S/C14H19BrClNS/c1-2-18-13-6-5-12(8-13)17-9-10-3-4-11(15)7-14(10)16/h3-4,7,12-13,17H,2,5-6,8-9H2,1H3
InChIKeyVOHDRPMYUQPFNB-UHFFFAOYSA-N
MW348.74 g/mol
LogP4.87
Rot. Bonds5

About N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine

N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine (PubChem CID 114122903) has the molecular formula C14H19BrClNS and a molecular weight of 348.74 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
PubChem CID114122903
Molecular FormulaC14H19BrClNS
Molecular Weight348.74 g/mol
Exact Mass347.01
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCC(NCc2ccc(Br)cc2Cl)C1
InChIInChI=1S/C14H19BrClNS/c1-2-18-13-6-5-12(8-13)17-9-10-3-4-11(15)7-14(10)16/h3-4,7,12-13,17H,2,5-6,8-9H2,1H3
InChIKeyVOHDRPMYUQPFNB-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-chlorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701411
4-bromo-2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]phenol
CID 103702367
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
N-[(4-chloro-3-fluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113243621
N-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104588029
2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-4-fluorophenol
CID 103948905
N-[(5-bromo-2-chlorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122570
N-[(4-chloro-3-nitrophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702417
N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine
CID 115688940
N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702377
3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
CID 115656792
3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine
CID 103702398

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine (CID 114122903) is N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine is CCSC1CCC(NCc2ccc(Br)cc2Cl)C1.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
The InChIKey is VOHDRPMYUQPFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNS/c1-2-18-13-6-5-12(8-13)17-9-10-3-4-11(15)7-14(10)16/h3-4,7,12-13,17H,2,5-6,8-9H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine has a molecular weight of 348.74 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 114122903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).