1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine

C18H24N2O — CID 82538265

IUPAC1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOc1ccc(C(C)(C)Nc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H24N2O/c1-18(2,14-9-11-17(21-5)12-10-14)19-15-7-6-8-16(13-15)20(3)4/h6-13,19H,1-5H3
InChIKeyZCYNNYIVQNKSTB-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.11
Rot. Bonds5

About 1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 82538265) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID82538265
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOc1ccc(C(C)(C)Nc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H24N2O/c1-18(2,14-9-11-17(21-5)12-10-14)19-15-7-6-8-16(13-15)20(3)4/h6-13,19H,1-5H3
InChIKeyZCYNNYIVQNKSTB-UHFFFAOYSA-N
XLogP4.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_C(1)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438804
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355
3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
CID 110455032
N-[2-(3-methoxyphenyl)propan-2-yl]aniline
CID 69399416
1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216514
4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 66739762
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine
CID 115376043
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028949
1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 46209105
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 82538265) is 1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine is COc1ccc(C(C)(C)Nc2cccc(N(C)C)c2)cc1.
What is the InChIKey of 1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is ZCYNNYIVQNKSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,14-9-11-17(21-5)12-10-14)19-15-7-6-8-16(13-15)20(3)4/h6-13,19H,1-5H3.
What are the key properties of 1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 284.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 82538265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).