1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine

C15H23ClN2 — CID 79467961

IUPAC1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCC(c1cccc(Cl)c1)N(C)C1CCCC(N)C1
InChIInChI=1S/C15H23ClN2/c1-11(12-5-3-6-13(16)9-12)18(2)15-8-4-7-14(17)10-15/h3,5-6,9,11,14-15H,4,7-8,10,17H2,1-2H3
InChIKeyFAVBBAGHWNDCNL-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.60
Rot. Bonds3

About 1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine

1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine (PubChem CID 79467961) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
PubChem CID79467961
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCC(c1cccc(Cl)c1)N(C)C1CCCC(N)C1
InChIInChI=1S/C15H23ClN2/c1-11(12-5-3-6-13(16)9-12)18(2)15-8-4-7-14(17)10-15/h3,5-6,9,11,14-15H,4,7-8,10,17H2,1-2H3
InChIKeyFAVBBAGHWNDCNL-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
CID 79467705
N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62979516
2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 62980621
1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine
CID 79469682
1-(3-chlorophenyl)-1-N-methyl-1-N-(3-methylcyclohexyl)butane-1,2-diamine
CID 63404072
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
3-N-[1-(3-chlorophenyl)ethyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
CID 62979514
1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 62547087
2-[1-(3-chlorophenyl)ethyl-methylamino]cycloheptane-1-carbonitrile
CID 62977935
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80998947
1-(3-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55020028

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine (CID 79467961) is 1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine is CC(c1cccc(Cl)c1)N(C)C1CCCC(N)C1.
What is the InChIKey of 1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine?
The InChIKey is FAVBBAGHWNDCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(12-5-3-6-13(16)9-12)18(2)15-8-4-7-14(17)10-15/h3,5-6,9,11,14-15H,4,7-8,10,17H2,1-2H3.
What are the key properties of 1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine?
1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine has a molecular weight of 266.82 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 79467961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).