[1-(2-bromophenyl)cycloheptyl]methanamine

C14H20BrN — CID 62829513

IUPAC[1-(2-bromophenyl)cycloheptyl]methanamine
SMILESNCC1(c2ccccc2Br)CCCCCC1
InChIInChI=1S/C14H20BrN/c15-13-8-4-3-7-12(13)14(11-16)9-5-1-2-6-10-14/h3-4,7-8H,1-2,5-6,9-11,16H2
InChIKeyZVKAKZBCQUSHNP-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.00
Rot. Bonds2

About [1-(2-bromophenyl)cycloheptyl]methanamine

[1-(2-bromophenyl)cycloheptyl]methanamine (PubChem CID 62829513) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is [1-(2-bromophenyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(2-bromophenyl)cycloheptyl]methanamine
PubChem CID62829513
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name[1-(2-bromophenyl)cycloheptyl]methanamine
SMILESNCC1(c2ccccc2Br)CCCCCC1
InChIInChI=1S/C14H20BrN/c15-13-8-4-3-7-12(13)14(11-16)9-5-1-2-6-10-14/h3-4,7-8H,1-2,5-6,9-11,16H2
InChIKeyZVKAKZBCQUSHNP-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
CID 117461246
[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
CID 117453314
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 63512430
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine
CID 84804892
2-[1-(2-bromophenyl)cyclobutyl]ethanol
CID 83693368
N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine
CID 62829689
[1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine
CID 117474516
N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine
CID 62829692
2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117113373

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)cycloheptyl]methanamine?
The IUPAC name of [1-(2-bromophenyl)cycloheptyl]methanamine (CID 62829513) is [1-(2-bromophenyl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(2-bromophenyl)cycloheptyl]methanamine?
The canonical SMILES for [1-(2-bromophenyl)cycloheptyl]methanamine is NCC1(c2ccccc2Br)CCCCCC1.
What is the InChIKey of [1-(2-bromophenyl)cycloheptyl]methanamine?
The InChIKey is ZVKAKZBCQUSHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c15-13-8-4-3-7-12(13)14(11-16)9-5-1-2-6-10-14/h3-4,7-8H,1-2,5-6,9-11,16H2.
What are the key properties of [1-(2-bromophenyl)cycloheptyl]methanamine?
[1-(2-bromophenyl)cycloheptyl]methanamine has a molecular weight of 282.22 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)cycloheptyl]methanamine is sourced from PubChem (CID 62829513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).