[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol

C16H24BrNO — CID 115358941

IUPAC[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol
SMILESCCC(NCC1(CO)CCCC1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-2-15(13-6-5-7-14(17)10-13)18-11-16(12-19)8-3-4-9-16/h5-7,10,15,18-19H,2-4,8-9,11-12H2,1H3
InChIKeyOBWJZZBHPHLXNV-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.04
Rot. Bonds6

About [1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol

[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol (PubChem CID 115358941) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is [1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol
PubChem CID115358941
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol
SMILESCCC(NCC1(CO)CCCC1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-2-15(13-6-5-7-14(17)10-13)18-11-16(12-19)8-3-4-9-16/h5-7,10,15,18-19H,2-4,8-9,11-12H2,1H3
InChIKeyOBWJZZBHPHLXNV-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(3-bromophenyl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115199
1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
CID 114107361
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopentyl]methanol
CID 115358763
N-[1-(3-bromophenyl)propyl]-3-methylbut-2-en-1-amine
CID 106180252
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclohexyl]methanol
CID 81419823
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358414
1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
CID 65103778
[2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol
CID 113262133
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
N-[1-(3-bromophenyl)propyl]but-2-yn-1-amine
CID 115897043
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol (CID 115358941) is [1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol is CCC(NCC1(CO)CCCC1)c1cccc(Br)c1.
What is the InChIKey of [1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol?
The InChIKey is OBWJZZBHPHLXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-15(13-6-5-7-14(17)10-13)18-11-16(12-19)8-3-4-9-16/h5-7,10,15,18-19H,2-4,8-9,11-12H2,1H3.
What are the key properties of [1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol?
[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol has a molecular weight of 326.28 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).