3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine

C17H26BrN — CID 82933194

IUPAC3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C17H26BrN/c1-13(2)19-12-16(15-5-3-4-6-15)11-14-7-9-17(18)10-8-14/h7-10,13,15-16,19H,3-6,11-12H2,1-2H3
InChIKeyNQUZXWJRPSWCCG-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.80
Rot. Bonds6

About 3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine

3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine (PubChem CID 82933194) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
PubChem CID82933194
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C17H26BrN/c1-13(2)19-12-16(15-5-3-4-6-15)11-14-7-9-17(18)10-8-14/h7-10,13,15-16,19H,3-6,11-12H2,1-2H3
InChIKeyNQUZXWJRPSWCCG-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 115926698
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine
CID 104819277
3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 107897598
2-cyclopentyl-N-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 112569760
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene
CID 104819632
N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine
CID 104819466
N-[2-cyclohexyl-3-(4-methylphenyl)propyl]cyclopropanamine
CID 82934027
N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 82932989
[2-(4-bromophenyl)-1-chloroethyl]cyclooctane
CID 65020959
1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene
CID 83150733

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine (CID 82933194) is 3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ccc(Br)cc1)C1CCCC1.
What is the InChIKey of 3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine?
The InChIKey is NQUZXWJRPSWCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-13(2)19-12-16(15-5-3-4-6-15)11-14-7-9-17(18)10-8-14/h7-10,13,15-16,19H,3-6,11-12H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine?
3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 82933194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).