1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine

C18H31ClN2 — CID 63494994

IUPAC1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine
SMILESCCC(CC)CN(CC)CCC(NC)c1cccc(Cl)c1
InChIInChI=1S/C18H31ClN2/c1-5-15(6-2)14-21(7-3)12-11-18(20-4)16-9-8-10-17(19)13-16/h8-10,13,15,18,20H,5-7,11-12,14H2,1-4H3
InChIKeyRBUPGGSCPAUPFU-UHFFFAOYSA-N
MW310.91 g/mol
LogP4.75
Rot. Bonds10

About 1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine

1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine (PubChem CID 63494994) has the molecular formula C18H31ClN2 and a molecular weight of 310.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine
PubChem CID63494994
Molecular FormulaC18H31ClN2
Molecular Weight310.91 g/mol
Exact Mass310.22
IUPAC Name1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine
SMILESCCC(CC)CN(CC)CCC(NC)c1cccc(Cl)c1
InChIInChI=1S/C18H31ClN2/c1-5-15(6-2)14-21(7-3)12-11-18(20-4)16-9-8-10-17(19)13-16/h8-10,13,15,18,20H,5-7,11-12,14H2,1-4H3
InChIKeyRBUPGGSCPAUPFU-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.91
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623245
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine
CID 63482523
1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62630789
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624169
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664918
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62630282
1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79377199
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
1-(3-chlorophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63494088

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine (CID 63494994) is 1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine is CCC(CC)CN(CC)CCC(NC)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine?
The InChIKey is RBUPGGSCPAUPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClN2/c1-5-15(6-2)14-21(7-3)12-11-18(20-4)16-9-8-10-17(19)13-16/h8-10,13,15,18,20H,5-7,11-12,14H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine has a molecular weight of 310.91 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 63494994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).