1-(4-bromophenyl)cyclohexane-1,4-diamine

C12H17BrN2 — CID 175562358

IUPAC1-(4-bromophenyl)cyclohexane-1,4-diamine
SMILESNC1CCC(N)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H17BrN2/c13-10-3-1-9(2-4-10)12(15)7-5-11(14)6-8-12/h1-4,11H,5-8,14-15H2
InChIKeyFXFCTPOZPKQNIW-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.50
Rot. Bonds1

About 1-(4-bromophenyl)cyclohexane-1,4-diamine

1-(4-bromophenyl)cyclohexane-1,4-diamine (PubChem CID 175562358) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)cyclohexane-1,4-diamine
PubChem CID175562358
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-(4-bromophenyl)cyclohexane-1,4-diamine
SMILESNC1CCC(N)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H17BrN2/c13-10-3-1-9(2-4-10)12(15)7-5-11(14)6-8-12/h1-4,11H,5-8,14-15H2
InChIKeyFXFCTPOZPKQNIW-UHFFFAOYSA-N
XLogP2.50
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-(4-bromophenyl)cyclohexane-1,4-diamine (CID 175562358) is 1-(4-bromophenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-(4-bromophenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-(4-bromophenyl)cyclohexane-1,4-diamine is NC1CCC(N)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)cyclohexane-1,4-diamine?
The InChIKey is FXFCTPOZPKQNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-10-3-1-9(2-4-10)12(15)7-5-11(14)6-8-12/h1-4,11H,5-8,14-15H2.
What are the key properties of 1-(4-bromophenyl)cyclohexane-1,4-diamine?
1-(4-bromophenyl)cyclohexane-1,4-diamine has a molecular weight of 269.19 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 175562358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).