4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine

C13H23N3O — CID 63677066

IUPAC4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NC(C)CCN(C)C)ccc1N
InChIInChI=1S/C13H23N3O/c1-10(7-8-16(2)3)15-11-5-6-12(14)13(9-11)17-4/h5-6,9-10,15H,7-8,14H2,1-4H3
InChIKeyKAWHNMJSTSXVBM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.03
Rot. Bonds6

About 4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine

4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine (PubChem CID 63677066) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine
PubChem CID63677066
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NC(C)CCN(C)C)ccc1N
InChIInChI=1S/C13H23N3O/c1-10(7-8-16(2)3)15-11-5-6-12(14)13(9-11)17-4/h5-6,9-10,15H,7-8,14H2,1-4H3
InChIKeyKAWHNMJSTSXVBM-UHFFFAOYSA-N
XLogP2.03
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036754
2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine
CID 114137996
2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine
CID 23316326
4-N-hexan-2-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002251
4-N-(4-methoxybutan-2-yl)-2-methylbenzene-1,4-diamine
CID 19861688
2-methoxy-4-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine
CID 102903600
4-[4-(dimethylamino)butan-2-ylamino]-2-methylbenzenecarbothioamide
CID 81276489
4-N-(5-methylhexan-2-yl)benzene-1,2,4-triamine
CID 106750847
2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine
CID 83142108
4-N-pentan-2-ylbenzene-1,2,4-triamine
CID 106750233
4-N-[4-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 63669994
4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine
CID 63676241

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine (CID 63677066) is 4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine is COc1cc(NC(C)CCN(C)C)ccc1N.
What is the InChIKey of 4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine?
The InChIKey is KAWHNMJSTSXVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(7-8-16(2)3)15-11-5-6-12(14)13(9-11)17-4/h5-6,9-10,15H,7-8,14H2,1-4H3.
What are the key properties of 4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine?
4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 63677066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).