N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine

C14H20BrN — CID 81381354

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(N[C@@H](C)c2cccc(Br)c2)C1
InChIInChI=1S/C14H20BrN/c1-10-6-7-14(8-10)16-11(2)12-4-3-5-13(15)9-12/h3-5,9-11,14,16H,6-8H2,1-2H3/t10?,11-,14?/m0/s1
InChIKeyLQZKURFFTPGHIR-CVZZAPKMSA-N
MW282.22 g/mol
LogP4.29
Rot. Bonds3

About N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine

N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine (PubChem CID 81381354) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
PubChem CID81381354
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(N[C@@H](C)c2cccc(Br)c2)C1
InChIInChI=1S/C14H20BrN/c1-10-6-7-14(8-10)16-11(2)12-4-3-5-13(15)9-12/h3-5,9-11,14,16H,6-8H2,1-2H3/t10?,11-,14?/m0/s1
InChIKeyLQZKURFFTPGHIR-CVZZAPKMSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43244142
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448653
N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43426724
N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43426732
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
N-[3-[1-[(3-methylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 64500396
(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81382309
(1S)-1-(3-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81382312
N-[(1R)-1-(3-bromophenyl)ethyl]-1-oxothian-4-amine
CID 81381561

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine (CID 81381354) is N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine is CC1CCC(N[C@@H](C)c2cccc(Br)c2)C1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine?
The InChIKey is LQZKURFFTPGHIR-CVZZAPKMSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-6-7-14(8-10)16-11(2)12-4-3-5-13(15)9-12/h3-5,9-11,14,16H,6-8H2,1-2H3/t10?,11-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine?
N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 81381354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).