1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine

C14H20BrN — CID 62724385

IUPAC1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C14H20BrN/c1-16-11-14(8-2-3-9-14)10-12-4-6-13(15)7-5-12/h4-7,16H,2-3,8-11H2,1H3
InChIKeyFYUUDNPMPIONQY-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.77
Rot. Bonds4

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

1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine (PubChem CID 62724385) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
PubChem CID62724385
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C14H20BrN/c1-16-11-14(8-2-3-9-14)10-12-4-6-13(15)7-5-12/h4-7,16H,2-3,8-11H2,1H3
InChIKeyFYUUDNPMPIONQY-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 63507472
N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55195085
1-[1-[(4-bromophenyl)methyl]-4-tert-butylcyclohexyl]-N-methylmethanamine
CID 63509614
N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194612
N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine
CID 116929382
1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 116929393
3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
CID 115272142
2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine
CID 115246309
N-methyl-1-[1-[(3-methylphenyl)methyl]cyclopentyl]methanamine
CID 62724183
1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62905195
1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine
CID 82831281
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine (CID 62724385) is 1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine is CNCC1(Cc2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine?
The InChIKey is FYUUDNPMPIONQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-16-11-14(8-2-3-9-14)10-12-4-6-13(15)7-5-12/h4-7,16H,2-3,8-11H2,1H3.
What are the key properties of 1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine?
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine has a molecular weight of 282.22 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 62724385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).