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

C18H29ClN2 — CID 107401588

IUPAC1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H29ClN2/c1-3-20-18(16-8-10-17(19)11-9-16)12-13-21(4-2)14-15-6-5-7-15/h8-11,15,18,20H,3-7,12-14H2,1-2H3
InChIKeyLYORQHYAAPATBU-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.50
Rot. Bonds9

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

1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine (PubChem CID 107401588) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
PubChem CID107401588
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H29ClN2/c1-3-20-18(16-8-10-17(19)11-9-16)12-13-21(4-2)14-15-6-5-7-15/h8-11,15,18,20H,3-7,12-14H2,1-2H3
InChIKeyLYORQHYAAPATBU-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401589
N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 107401542
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 116506277
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114519577
2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 62645398
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
1-(3-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401696
1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 107401727
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine (CID 107401588) is 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine is CCNC(CCN(CC)CC1CCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine?
The InChIKey is LYORQHYAAPATBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-3-20-18(16-8-10-17(19)11-9-16)12-13-21(4-2)14-15-6-5-7-15/h8-11,15,18,20H,3-7,12-14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine?
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine has a molecular weight of 308.90 g/mol, XLogP of 4.50, 9 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,N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 107401588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).