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

C17H27BrN2 — CID 79111922

IUPAC4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)c1ccccc1Br
InChIInChI=1S/C17H27BrN2/c1-3-12-20(15-10-8-14(19)9-11-15)13(2)16-6-4-5-7-17(16)18/h4-7,13-15H,3,8-12,19H2,1-2H3
InChIKeyODZBOQGZMIMAQU-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.49
Rot. Bonds5

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

4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79111922) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
PubChem CID79111922
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)c1ccccc1Br
InChIInChI=1S/C17H27BrN2/c1-3-12-20(15-10-8-14(19)9-11-15)13(2)16-6-4-5-7-17(16)18/h4-7,13-15H,3,8-12,19H2,1-2H3
InChIKeyODZBOQGZMIMAQU-UHFFFAOYSA-N
XLogP4.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55022683
N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637762
4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113200
4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115906
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715077
2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid
CID 65057476
4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111487
4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79116500
2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide
CID 55035536
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112286
4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 114868433
4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 106758695

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine (CID 79111922) is 4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine is CCCN(C1CCC(N)CC1)C(C)c1ccccc1Br.
What is the InChIKey of 4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is ODZBOQGZMIMAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-3-12-20(15-10-8-14(19)9-11-15)13(2)16-6-4-5-7-17(16)18/h4-7,13-15H,3,8-12,19H2,1-2H3.
What are the key properties of 4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 339.32 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79111922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).