N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine

C18H24N2O — CID 28770933

IUPACN'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)Cc2ccccc2C)cc1
InChIInChI=1S/C18H24N2O/c1-15-6-3-4-7-16(15)14-20(13-5-12-19)17-8-10-18(21-2)11-9-17/h3-4,6-11H,5,12-14,19H2,1-2H3
InChIKeyDGWFJTOXZYMEJK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.36
Rot. Bonds7

About N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine

N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine (PubChem CID 28770933) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
PubChem CID28770933
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)Cc2ccccc2C)cc1
InChIInChI=1S/C18H24N2O/c1-15-6-3-4-7-16(15)14-20(13-5-12-19)17-8-10-18(21-2)11-9-17/h3-4,6-11H,5,12-14,19H2,1-2H3
InChIKeyDGWFJTOXZYMEJK-UHFFFAOYSA-N
XLogP3.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698200
N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43136363
5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
CID 62227300
N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline
CID 154621195
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine
CID 62253697
N'-[(2-methylphenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 43137393
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262673
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide
CID 43319129
2-[(N-butylanilino)methyl]-5-methoxyaniline
CID 115414199

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine (CID 28770933) is N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine is COc1ccc(N(CCCN)Cc2ccccc2C)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The InChIKey is DGWFJTOXZYMEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15-6-3-4-7-16(15)14-20(13-5-12-19)17-8-10-18(21-2)11-9-17/h3-4,6-11H,5,12-14,19H2,1-2H3.
What are the key properties of N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 28770933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).