N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine

C15H25ClN2 — CID 62983848

IUPACN'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine
SMILESCCNCCCCN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-4-17-11-5-6-12-18(3)13(2)14-7-9-15(16)10-8-14/h7-10,13,17H,4-6,11-12H2,1-3H3
InChIKeyZFPSHXJFAOLKFH-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.72
Rot. Bonds8

About N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine

N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine (PubChem CID 62983848) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine
PubChem CID62983848
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC NameN'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine
SMILESCCNCCCCN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-4-17-11-5-6-12-18(3)13(2)14-7-9-15(16)10-8-14/h7-10,13,17H,4-6,11-12H2,1-3H3
InChIKeyZFPSHXJFAOLKFH-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.72
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'-methylpropane-1,3-diamine
CID 62980472
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62983688
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63501756
4-N-[1-(4-chlorophenyl)ethyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62985786
4-N-[1-(3-chlorophenyl)ethyl]-1-N-ethyl-4-N-methylpentane-1,4-diamine
CID 62984747
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62984219
1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62979231
N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62984575
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)butane-1,4-diamine
CID 62432648
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62984708
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine (CID 62983848) is N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine is CCNCCCCN(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine?
The InChIKey is ZFPSHXJFAOLKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-4-17-11-5-6-12-18(3)13(2)14-7-9-15(16)10-8-14/h7-10,13,17H,4-6,11-12H2,1-3H3.
What are the key properties of N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine?
N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.72, 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-ethyl-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 62983848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).