N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine

C17H29ClN2 — CID 62984708

IUPACN-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H29ClN2/c1-6-11-19-12-17(3,4)13-20(5)14(2)15-7-9-16(18)10-8-15/h7-10,14,19H,6,11-13H2,1-5H3
InChIKeyCFEYCUMHSWBVCL-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.36
Rot. Bonds8

About N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine

N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine (PubChem CID 62984708) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
PubChem CID62984708
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H29ClN2/c1-6-11-19-12-17(3,4)13-20(5)14(2)15-7-9-16(18)10-8-15/h7-10,14,19H,6,11-13H2,1-5H3
InChIKeyCFEYCUMHSWBVCL-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62979231
N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494918
3-[1-(4-chlorophenyl)ethyl-methylamino]-2,2-dimethylpropanal
CID 55140473
4-N-[1-(4-chlorophenyl)ethyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62985786
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62983688
N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62983848
2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257313
N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494911
N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 79645598
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943
1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol
CID 55142601

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine (CID 62984708) is N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine is CCCNCC(C)(C)CN(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is CFEYCUMHSWBVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-6-11-19-12-17(3,4)13-20(5)14(2)15-7-9-16(18)10-8-15/h7-10,14,19H,6,11-13H2,1-5H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 296.89 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62984708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).