4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile

C15H19BrN2 — CID 115150280

IUPAC4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(NCCc2ccccc2Br)CC1
InChIInChI=1S/C15H19BrN2/c16-15-4-2-1-3-13(15)9-10-18-14-7-5-12(11-17)6-8-14/h1-4,12,14,18H,5-10H2
InChIKeyJKIFAPMSEOJYHD-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.66
Rot. Bonds4

About 4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile

4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile (PubChem CID 115150280) has the molecular formula C15H19BrN2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile
PubChem CID115150280
Molecular FormulaC15H19BrN2
Molecular Weight307.23 g/mol
Exact Mass306.07
IUPAC Name4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(NCCc2ccccc2Br)CC1
InChIInChI=1S/C15H19BrN2/c16-15-4-2-1-3-13(15)9-10-18-14-7-5-12(11-17)6-8-14/h1-4,12,14,18H,5-10H2
InChIKeyJKIFAPMSEOJYHD-UHFFFAOYSA-N
XLogP3.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile
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3-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclobutan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile (CID 115150280) is 4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile is N#CC1CCC(NCCc2ccccc2Br)CC1.
What is the InChIKey of 4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile?
The InChIKey is JKIFAPMSEOJYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c16-15-4-2-1-3-13(15)9-10-18-14-7-5-12(11-17)6-8-14/h1-4,12,14,18H,5-10H2.
What are the key properties of 4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile?
4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile has a molecular weight of 307.23 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 115150280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).