3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine

C18H24N2O — CID 65446769

IUPAC3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine
SMILESCCCN(CCc1ccc(OC)cc1)c1cccc(N)c1
InChIInChI=1S/C18H24N2O/c1-3-12-20(17-6-4-5-16(19)14-17)13-11-15-7-9-18(21-2)10-8-15/h4-10,14H,3,11-13,19H2,1-2H3
InChIKeyZAPRCAAVBRUJOI-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.74
Rot. Bonds7

About 3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine

3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine (PubChem CID 65446769) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine
PubChem CID65446769
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine
SMILESCCCN(CCc1ccc(OC)cc1)c1cccc(N)c1
InChIInChI=1S/C18H24N2O/c1-3-12-20(17-6-4-5-16(19)14-17)13-11-15-7-9-18(21-2)10-8-15/h4-10,14H,3,11-13,19H2,1-2H3
InChIKeyZAPRCAAVBRUJOI-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-N-[(4-fluorophenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 55175554
3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
CID 63774185
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
2-[3-amino-N-[(4-methoxyphenyl)methyl]anilino]ethylcarbamic acid
CID 122610522
3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride
CID 119739240
3-N-(3-methylsulfonylpropyl)-3-N-propylbenzene-1,3-diamine
CID 55175556
3-N-[(3-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 63230562
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
3-N-propyl-3-N-(pyrimidin-2-ylmethyl)benzene-1,3-diamine
CID 63230380

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine?
The IUPAC name of 3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine (CID 65446769) is 3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine is CCCN(CCc1ccc(OC)cc1)c1cccc(N)c1.
What is the InChIKey of 3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine?
The InChIKey is ZAPRCAAVBRUJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-12-20(17-6-4-5-16(19)14-17)13-11-15-7-9-18(21-2)10-8-15/h4-10,14H,3,11-13,19H2,1-2H3.
What are the key properties of 3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine?
3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine is sourced from PubChem (CID 65446769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).