N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine

C18H24N2O — CID 62618937

IUPACN'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCOc1cccc(N(C)CCC(N)c2ccc(C)cc2)c1
InChIInChI=1S/C18H24N2O/c1-14-7-9-15(10-8-14)18(19)11-12-20(2)16-5-4-6-17(13-16)21-3/h4-10,13,18H,11-12,19H2,1-3H3
InChIKeyABICWRMYIKQUGT-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.53
Rot. Bonds6

About N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine

N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine (PubChem CID 62618937) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
PubChem CID62618937
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCOc1cccc(N(C)CCC(N)c2ccc(C)cc2)c1
InChIInChI=1S/C18H24N2O/c1-14-7-9-15(10-8-14)18(19)11-12-20(2)16-5-4-6-17(13-16)21-3/h4-10,13,18H,11-12,19H2,1-3H3
InChIKeyABICWRMYIKQUGT-UHFFFAOYSA-N
XLogP3.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
CID 63055390
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62644528
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
CID 63054512
methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63055038
1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62630981
2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64646152
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795
N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645408

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine (CID 62618937) is N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine is COc1cccc(N(C)CCC(N)c2ccc(C)cc2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is ABICWRMYIKQUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-7-9-15(10-8-14)18(19)11-12-20(2)16-5-4-6-17(13-16)21-3/h4-10,13,18H,11-12,19H2,1-3H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine?
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62618937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).