3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine

C17H22N2O2 — CID 80739510

IUPAC3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
SMILESCOc1ccc(N(C)c2cc(N)cc(OC(C)C)c2)cc1
InChIInChI=1S/C17H22N2O2/c1-12(2)21-17-10-13(18)9-15(11-17)19(3)14-5-7-16(20-4)8-6-14/h5-12H,18H2,1-4H3
InChIKeyHJECSMWDCPCCBF-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.83
Rot. Bonds5

About 3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine

3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine (PubChem CID 80739510) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
PubChem CID80739510
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
SMILESCOc1ccc(N(C)c2cc(N)cc(OC(C)C)c2)cc1
InChIInChI=1S/C17H22N2O2/c1-12(2)21-17-10-13(18)9-15(11-17)19(3)14-5-7-16(20-4)8-6-14/h5-12H,18H2,1-4H3
InChIKeyHJECSMWDCPCCBF-UHFFFAOYSA-N
XLogP3.83
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine
CID 80739210
3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80731070
3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80730138
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
3-N-[(4-methoxyphenyl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80726923
5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 80738542
5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 80723073
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propan-2-yloxybenzene-1,3-diamine
CID 102991115
3-N-ethyl-3-N-(2-ethylbutyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80731502
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80727262
3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80740106
3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol
CID 80735488

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine?
The IUPAC name of 3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine (CID 80739510) is 3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine is COc1ccc(N(C)c2cc(N)cc(OC(C)C)c2)cc1.
What is the InChIKey of 3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine?
The InChIKey is HJECSMWDCPCCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)21-17-10-13(18)9-15(11-17)19(3)14-5-7-16(20-4)8-6-14/h5-12H,18H2,1-4H3.
What are the key properties of 3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine?
3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine is sourced from PubChem (CID 80739510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).