1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine

C16H20N2O — CID 117027164

IUPAC1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
SMILESCNc1cccc(Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C16H20N2O/c1-12(2)19-16-9-7-13(8-10-16)18-15-6-4-5-14(11-15)17-3/h4-12,17-18H,1-3H3
InChIKeyRTMPRSNKDYKPIW-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.26
Rot. Bonds5

About 1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine

1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine (PubChem CID 117027164) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
PubChem CID117027164
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
SMILESCNc1cccc(Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C16H20N2O/c1-12(2)19-16-9-7-13(8-10-16)18-15-6-4-5-14(11-15)17-3/h4-12,17-18H,1-3H3
InChIKeyRTMPRSNKDYKPIW-UHFFFAOYSA-N
XLogP4.26
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159
N-methyl-4-propan-2-yloxyaniline
CID 18002910
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
1-N-methyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 157042736
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline
CID 143373878
2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde
CID 87563578
5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 80723073
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815
3-N-(3-methoxyphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967266
5-N-(3-methylphenyl)-3-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112961990
3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 60789932

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine?
The IUPAC name of 1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine (CID 117027164) is 1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine?
The canonical SMILES for 1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine is CNc1cccc(Nc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine?
The InChIKey is RTMPRSNKDYKPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(2)19-16-9-7-13(8-10-16)18-15-6-4-5-14(11-15)17-3/h4-12,17-18H,1-3H3.
What are the key properties of 1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine?
1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine is sourced from PubChem (CID 117027164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).