4-(4-bromophenyl)cycloheptan-1-amine

C13H18BrN — CID 115049929

IUPAC4-(4-bromophenyl)cycloheptan-1-amine
SMILESNC1CCCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrN/c14-12-7-4-11(5-8-12)10-2-1-3-13(15)9-6-10/h4-5,7-8,10,13H,1-3,6,9,15H2
InChIKeyLZYUPDQCMUYCDP-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.82
Rot. Bonds1

About 4-(4-bromophenyl)cycloheptan-1-amine

4-(4-bromophenyl)cycloheptan-1-amine (PubChem CID 115049929) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)cycloheptan-1-amine
PubChem CID115049929
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name4-(4-bromophenyl)cycloheptan-1-amine
SMILESNC1CCCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrN/c14-12-7-4-11(5-8-12)10-2-1-3-13(15)9-6-10/h4-5,7-8,10,13H,1-3,6,9,15H2
InChIKeyLZYUPDQCMUYCDP-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)cycloheptan-1-amine?
The IUPAC name of 4-(4-bromophenyl)cycloheptan-1-amine (CID 115049929) is 4-(4-bromophenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-(4-bromophenyl)cycloheptan-1-amine?
The canonical SMILES for 4-(4-bromophenyl)cycloheptan-1-amine is NC1CCCC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)cycloheptan-1-amine?
The InChIKey is LZYUPDQCMUYCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c14-12-7-4-11(5-8-12)10-2-1-3-13(15)9-6-10/h4-5,7-8,10,13H,1-3,6,9,15H2.
What are the key properties of 4-(4-bromophenyl)cycloheptan-1-amine?
4-(4-bromophenyl)cycloheptan-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)cycloheptan-1-amine is sourced from PubChem (CID 115049929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).