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

C17H26BrN — CID 65086943

IUPAC1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(Cc2ccccc2Br)CC1
InChIInChI=1S/C17H26BrN/c1-2-6-14-7-5-11-17(19,12-10-14)13-15-8-3-4-9-16(15)18/h3-4,8-9,14H,2,5-7,10-13,19H2,1H3
InChIKeyUWAYEELWSGUKES-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.07
Rot. Bonds4

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

1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine (PubChem CID 65086943) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine
PubChem CID65086943
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(Cc2ccccc2Br)CC1
InChIInChI=1S/C17H26BrN/c1-2-6-14-7-5-11-17(19,12-10-14)13-15-8-3-4-9-16(15)18/h3-4,8-9,14H,2,5-7,10-13,19H2,1H3
InChIKeyUWAYEELWSGUKES-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080509
1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513879
1-[(2-bromophenyl)methyl]cyclooctan-1-amine
CID 80603079
1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407677
4-propyl-1-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65086743
1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758604
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086350
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine
CID 105373119
1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082267
1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733966
1-[(3,4-difluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 82919808
1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090602

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine (CID 65086943) is 1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(N)(Cc2ccccc2Br)CC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine?
The InChIKey is UWAYEELWSGUKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-2-6-14-7-5-11-17(19,12-10-14)13-15-8-3-4-9-16(15)18/h3-4,8-9,14H,2,5-7,10-13,19H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine?
1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.07, 4 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-propylcycloheptan-1-amine is sourced from PubChem (CID 65086943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).