(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine

C14H20BrN — CID 81355288

IUPAC(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
SMILESC[C@H](NCC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-11(13-6-8-14(15)9-7-13)16-10-12-4-2-3-5-12/h6-9,11-12,16H,2-5,10H2,1H3/t11-/m0/s1
InChIKeyRGAAZJJXLKIREH-NSHDSACASA-N
MW282.22 g/mol
LogP4.29
Rot. Bonds4

About (1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine

(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine (PubChem CID 81355288) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
PubChem CID81355288
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
SMILESC[C@H](NCC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-11(13-6-8-14(15)9-7-13)16-10-12-4-2-3-5-12/h6-9,11-12,16H,2-5,10H2,1H3/t11-/m0/s1
InChIKeyRGAAZJJXLKIREH-NSHDSACASA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

(1S)-1-(4-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81359380
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81354090
(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 81354216
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836687
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine (CID 81355288) is (1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine is C[C@H](NCC1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine?
The InChIKey is RGAAZJJXLKIREH-NSHDSACASA-N. The full InChI is InChI=1S/C14H20BrN/c1-11(13-6-8-14(15)9-7-13)16-10-12-4-2-3-5-12/h6-9,11-12,16H,2-5,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine?
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine has a molecular weight of 282.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine is sourced from PubChem (CID 81355288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).