N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine

C15H22BrNO — CID 82831812

IUPACN-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OCc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C15H22BrNO/c1-2-17-12-15(9-3-4-10-15)18-11-13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12H2,1H3
InChIKeyLBFFWIGBKAYCAP-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.89
Rot. Bonds6

About N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine

N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine (PubChem CID 82831812) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine
PubChem CID82831812
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OCc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C15H22BrNO/c1-2-17-12-15(9-3-4-10-15)18-11-13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12H2,1H3
InChIKeyLBFFWIGBKAYCAP-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-bromophenyl)methoxy]cycloheptyl]methyl]propan-1-amine
CID 82805528
1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine
CID 82831281
N-[[1-[(4-bromophenyl)methoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 82831969
N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82832195
[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
CID 82832273
N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55195085
N-[[1-[(3-chlorophenyl)methoxy]cyclopentyl]methyl]ethanamine
CID 65124397
methyl 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272838
2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine
CID 103274368
N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
CID 82831973
N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274369
N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine
CID 63932831

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine (CID 82831812) is N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine is CCNCC1(OCc2ccc(Br)cc2)CCCC1.
What is the InChIKey of N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine?
The InChIKey is LBFFWIGBKAYCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-17-12-15(9-3-4-10-15)18-11-13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12H2,1H3.
What are the key properties of N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine?
N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine has a molecular weight of 312.25 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 82831812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).