2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline

C14H24N2O — CID 82257431

IUPAC2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
SMILESCOc1ccc(CC(C)NCC(C)C)cc1N
InChIInChI=1S/C14H24N2O/c1-10(2)9-16-11(3)7-12-5-6-14(17-4)13(15)8-12/h5-6,8,10-11,16H,7,9,15H2,1-4H3
InChIKeyQOBUTYILBNEJIU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.45
Rot. Bonds6

About 2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline

2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline (PubChem CID 82257431) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
PubChem CID82257431
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
SMILESCOc1ccc(CC(C)NCC(C)C)cc1N
InChIInChI=1S/C14H24N2O/c1-10(2)9-16-11(3)7-12-5-6-14(17-4)13(15)8-12/h5-6,8,10-11,16H,7,9,15H2,1-4H3
InChIKeyQOBUTYILBNEJIU-UHFFFAOYSA-N
XLogP2.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
CID 82257433
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline
CID 82257458
2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257442
2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
CID 82257453
2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
CID 82257451
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445
2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline
CID 82257448
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
3-[2-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]ethyl]-1,3-thiazolidine-2,4-dione
CID 82257492
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine
CID 82262391

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline?
The IUPAC name of 2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline (CID 82257431) is 2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline?
The canonical SMILES for 2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline is COc1ccc(CC(C)NCC(C)C)cc1N.
What is the InChIKey of 2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline?
The InChIKey is QOBUTYILBNEJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)9-16-11(3)7-12-5-6-14(17-4)13(15)8-12/h5-6,8,10-11,16H,7,9,15H2,1-4H3.
What are the key properties of 2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline?
2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline is sourced from PubChem (CID 82257431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).