1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine

C15H22BrN — CID 65080509

IUPAC1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(N)(Cc2ccccc2Br)CC1
InChIInChI=1S/C15H22BrN/c1-12-5-4-9-15(17,10-8-12)11-13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11,17H2,1H3
InChIKeyAXPTYDVRANNWPQ-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.29
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine

1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine (PubChem CID 65080509) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine
PubChem CID65080509
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(N)(Cc2ccccc2Br)CC1
InChIInChI=1S/C15H22BrN/c1-12-5-4-9-15(17,10-8-12)11-13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11,17H2,1H3
InChIKeyAXPTYDVRANNWPQ-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086943
1-[(2-bromophenyl)methyl]cyclooctan-1-amine
CID 80603079
1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733966
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458
1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513879
1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758604
4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63407888
6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine
CID 79330967
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079897
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003
3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 114535509
1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60799051

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine (CID 65080509) is 1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine is CC1CCCC(N)(Cc2ccccc2Br)CC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine?
The InChIKey is AXPTYDVRANNWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12-5-4-9-15(17,10-8-12)11-13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11,17H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine?
1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65080509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).