2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine

C17H29ClN2 — CID 63501755

IUPAC2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H29ClN2/c1-6-17(7-2)19-12-13(3)20(5)14(4)15-8-10-16(18)11-9-15/h8-11,13-14,17,19H,6-7,12H2,1-5H3
InChIKeyTUEUHHHQBQESFP-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.50
Rot. Bonds8

About 2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine

2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 63501755) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
PubChem CID63501755
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H29ClN2/c1-6-17(7-2)19-12-13(3)20(5)14(4)15-8-10-16(18)11-9-15/h8-11,13-14,17,19H,6-7,12H2,1-5H3
InChIKeyTUEUHHHQBQESFP-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62984553
2-N-[1-(2-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 63502805
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63501756
2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 62984217
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058
2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N,3-trimethylbutane-1,2-diamine
CID 62984913
4-N-[1-(4-chlorophenyl)ethyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62985786
3-N-[1-(4-chlorophenyl)ethyl]-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81012189
3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide
CID 55215005
3-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 62985090
2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63492609
3-N-[1-(4-chlorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine
CID 55139687

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine (CID 63501755) is 2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)NCC(C)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is TUEUHHHQBQESFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-6-17(7-2)19-12-13(3)20(5)14(4)15-8-10-16(18)11-9-15/h8-11,13-14,17,19H,6-7,12H2,1-5H3.
What are the key properties of 2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 296.89 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 63501755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).