N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine

C15H22BrN — CID 62829689

IUPACN-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccccc2Br)CCCC1
InChIInChI=1S/C15H22BrN/c1-12(2)17-11-15(9-5-6-10-15)13-7-3-4-8-14(13)16/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3
InChIKeyGVTGIILOJGOGCS-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.26
Rot. Bonds4

About N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine

N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 62829689) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine
PubChem CID62829689
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccccc2Br)CCCC1
InChIInChI=1S/C15H22BrN/c1-12(2)17-11-15(9-5-6-10-15)13-7-3-4-8-14(13)16/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3
InChIKeyGVTGIILOJGOGCS-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 63512430
N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
CID 55195742
N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine
CID 62829692
N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
CID 84598699
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62596205
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008248
1-[2-(2-bromophenyl)spiro[3.3]heptan-2-yl]-N-methylmethanamine
CID 65009563
1-(2-bromophenyl)-N-(3-methylbutan-2-yl)cyclopropan-1-amine
CID 115921982
2-[1-(2-bromophenyl)cyclobutyl]ethanol
CID 83693368

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine (CID 62829689) is N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine is CC(C)NCC1(c2ccccc2Br)CCCC1.
What is the InChIKey of N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is GVTGIILOJGOGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12(2)17-11-15(9-5-6-10-15)13-7-3-4-8-14(13)16/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3.
What are the key properties of N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine?
N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 296.25 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 62829689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).