N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine

C14H20BrN — CID 62632119

IUPACN-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
SMILESCC(NCc1ccccc1Br)C1CCCC1
InChIInChI=1S/C14H20BrN/c1-11(12-6-2-3-7-12)16-10-13-8-4-5-9-14(13)15/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3
InChIKeyRPKNALCIAVPQJE-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.12
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine

N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine (PubChem CID 62632119) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
PubChem CID62632119
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
SMILESCC(NCc1ccccc1Br)C1CCCC1
InChIInChI=1S/C14H20BrN/c1-11(12-6-2-3-7-12)16-10-13-8-4-5-9-14(13)15/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3
InChIKeyRPKNALCIAVPQJE-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol
CID 61390496
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile
CID 114017957
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544
N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
CID 81394935
(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 81384906

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine (CID 62632119) is N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine is CC(NCc1ccccc1Br)C1CCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine?
The InChIKey is RPKNALCIAVPQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-11(12-6-2-3-7-12)16-10-13-8-4-5-9-14(13)15/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine?
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine has a molecular weight of 282.22 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine is sourced from PubChem (CID 62632119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).