1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine

C16H24BrN — CID 55260439

IUPAC1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine
SMILESCCC(NCC1(C)CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN/c1-3-15(13-6-8-14(17)9-7-13)18-12-16(2)10-4-5-11-16/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyDNSLFYZSKMBIPE-UHFFFAOYSA-N
MW310.28 g/mol
LogP5.07
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine

1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 55260439) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine
PubChem CID55260439
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine
SMILESCCC(NCC1(C)CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN/c1-3-15(13-6-8-14(17)9-7-13)18-12-16(2)10-4-5-11-16/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyDNSLFYZSKMBIPE-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.28
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(1-methylcyclopentyl)methyl]butan-1-amine
CID 63823108
4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol
CID 107163202
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
1-[1-(4-bromophenyl)propylamino]butan-2-ol
CID 115899581
1-(5-fluoro-2-pyridinyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine
CID 112583142
4-[1-[[1-(dimethylamino)cyclopentyl]methylamino]propyl]phenol
CID 83116508
[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358941
N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine
CID 80705179
1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106633301
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 60664059
1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine
CID 79548028

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine (CID 55260439) is 1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine is CCC(NCC1(C)CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is DNSLFYZSKMBIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-3-15(13-6-8-14(17)9-7-13)18-12-16(2)10-4-5-11-16/h6-9,15,18H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine?
1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 55260439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).