2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline

C18H24N2O — CID 82257453

IUPAC2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
SMILESCOc1ccc(CC(C)NCc2ccc(C)cc2)cc1N
InChIInChI=1S/C18H24N2O/c1-13-4-6-15(7-5-13)12-20-14(2)10-16-8-9-18(21-3)17(19)11-16/h4-9,11,14,20H,10,12,19H2,1-3H3
InChIKeyPKFCAWVNNZLSMM-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.31
Rot. Bonds6

About 2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline

2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline (PubChem CID 82257453) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
PubChem CID82257453
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
SMILESCOc1ccc(CC(C)NCc2ccc(C)cc2)cc1N
InChIInChI=1S/C18H24N2O/c1-13-4-6-15(7-5-13)12-20-14(2)10-16-8-9-18(21-3)17(19)11-16/h4-9,11,14,20H,10,12,19H2,1-3H3
InChIKeyPKFCAWVNNZLSMM-UHFFFAOYSA-N
XLogP3.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
CID 82257451
2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
CID 82257431
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
CID 82257433
2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline
CID 82257458
2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257442
5-[2-(benzylamino)propyl]-2-ethoxyaniline
CID 82257507
1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine
CID 43696003
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445
2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline
CID 82257448
5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
CID 10382246
[5-[(2R)-2-(benzylamino)propyl]-2-methoxyphenyl]-oxomethanesulfonamide
CID 91345314

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline?
The IUPAC name of 2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline (CID 82257453) is 2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline?
The canonical SMILES for 2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline is COc1ccc(CC(C)NCc2ccc(C)cc2)cc1N.
What is the InChIKey of 2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline?
The InChIKey is PKFCAWVNNZLSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-4-6-15(7-5-13)12-20-14(2)10-16-8-9-18(21-3)17(19)11-16/h4-9,11,14,20H,10,12,19H2,1-3H3.
What are the key properties of 2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline?
2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline has a molecular weight of 284.40 g/mol, XLogP of 3.31, 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-[(4-methylphenyl)methylamino]propyl]aniline is sourced from PubChem (CID 82257453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).