2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine

C14H21BrN2 — CID 115118064

IUPAC2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1NCCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2/c15-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)16/h5-8,13-14,17H,1-4,9-10,16H2
InChIKeySLMWYUNMNGMXBY-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.85
Rot. Bonds4

About 2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine

2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine (PubChem CID 115118064) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine
PubChem CID115118064
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1NCCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2/c15-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)16/h5-8,13-14,17H,1-4,9-10,16H2
InChIKeySLMWYUNMNGMXBY-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine (CID 115118064) is 2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine is NC1CCCCC1NCCc1ccc(Br)cc1.
What is the InChIKey of 2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine?
The InChIKey is SLMWYUNMNGMXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c15-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)16/h5-8,13-14,17H,1-4,9-10,16H2.
What are the key properties of 2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine?
2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine has a molecular weight of 297.24 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 115118064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).