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

C18H29ClN2 — CID 114763258

IUPAC4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)C(C)c2ccccc2Cl)CC1
InChIInChI=1S/C18H29ClN2/c1-4-13-20-15-9-11-16(12-10-15)21(3)14(2)17-7-5-6-8-18(17)19/h5-8,14-16,20H,4,9-13H2,1-3H3
InChIKeyFTHRRASEHVOLPO-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.64
Rot. Bonds6

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

4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine (PubChem CID 114763258) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
PubChem CID114763258
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)C(C)c2ccccc2Cl)CC1
InChIInChI=1S/C18H29ClN2/c1-4-13-20-15-9-11-16(12-10-15)21(3)14(2)17-7-5-6-8-18(17)19/h5-8,14-16,20H,4,9-13H2,1-3H3
InChIKeyFTHRRASEHVOLPO-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 54965482
2-chloro-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653408
N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62978284
2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine
CID 63501762
4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
CID 114763468
4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122467
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762949
1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea
CID 79122790
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62108652
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine (CID 114763258) is 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(C)C(C)c2ccccc2Cl)CC1.
What is the InChIKey of 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is FTHRRASEHVOLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-13-20-15-9-11-16(12-10-15)21(3)14(2)17-7-5-6-8-18(17)19/h5-8,14-16,20H,4,9-13H2,1-3H3.
What are the key properties of 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 308.90 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 114763258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).