1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine

C18H23ClN2 — CID 63495320

IUPAC1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1cccc(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C18H23ClN2/c1-3-21(17-9-4-6-14(2)12-17)11-10-18(20)15-7-5-8-16(19)13-15/h4-9,12-13,18H,3,10-11,20H2,1-2H3
InChIKeyNJMZVOSTZFJEIV-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.56
Rot. Bonds6

About 1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine

1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine (PubChem CID 63495320) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
PubChem CID63495320
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1cccc(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C18H23ClN2/c1-3-21(17-9-4-6-14(2)12-17)11-10-18(20)15-7-5-8-16(19)13-15/h4-9,12-13,18H,3,10-11,20H2,1-2H3
InChIKeyNJMZVOSTZFJEIV-UHFFFAOYSA-N
XLogP4.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63493466
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63483059
1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63493106
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine
CID 63482523
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55098411
1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
CID 103191368
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine
CID 63691060
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide
CID 3683991

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine (CID 63495320) is 1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine is CCN(CCC(N)c1cccc(Cl)c1)c1cccc(C)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine?
The InChIKey is NJMZVOSTZFJEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-3-21(17-9-4-6-14(2)12-17)11-10-18(20)15-7-5-8-16(19)13-15/h4-9,12-13,18H,3,10-11,20H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine?
1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine has a molecular weight of 302.85 g/mol, XLogP of 4.56, 6 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'-(3-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 63495320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).