1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine

C16H25ClN2 — CID 107401589

IUPAC1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(Cl)cc1)CC1CCC1
InChIInChI=1S/C16H25ClN2/c1-2-19(12-13-4-3-5-13)11-10-16(18)14-6-8-15(17)9-7-14/h6-9,13,16H,2-5,10-12,18H2,1H3
InChIKeyIFXVCWOAVNIGNU-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.85
Rot. Bonds7

About 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine

1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine (PubChem CID 107401589) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
PubChem CID107401589
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(Cl)cc1)CC1CCC1
InChIInChI=1S/C16H25ClN2/c1-2-19(12-13-4-3-5-13)11-10-16(18)14-6-8-15(17)9-7-14/h6-9,13,16H,2-5,10-12,18H2,1H3
InChIKeyIFXVCWOAVNIGNU-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401696
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
1-(4-bromophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63957100
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107401588
1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63939293
1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 107401727
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
2-(4-chlorophenyl)-4-(diethylamino)butanenitrile
CID 12550813
1-(3,4-difluorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 79086921
1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine
CID 105417210
1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62644814

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine (CID 107401589) is 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine is CCN(CCC(N)c1ccc(Cl)cc1)CC1CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine?
The InChIKey is IFXVCWOAVNIGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-2-19(12-13-4-3-5-13)11-10-16(18)14-6-8-15(17)9-7-14/h6-9,13,16H,2-5,10-12,18H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine?
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine has a molecular weight of 280.84 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 107401589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).