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

C18H24N2O2 — CID 82257451

IUPAC2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
SMILESCOc1ccc(CNC(C)Cc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C18H24N2O2/c1-13(10-15-6-9-18(22-3)17(19)11-15)20-12-14-4-7-16(21-2)8-5-14/h4-9,11,13,20H,10,12,19H2,1-3H3
InChIKeyCVUGTCUXJSZLFT-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.01
Rot. Bonds7

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

2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline (PubChem CID 82257451) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
PubChem CID82257451
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
SMILESCOc1ccc(CNC(C)Cc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C18H24N2O2/c1-13(10-15-6-9-18(22-3)17(19)11-15)20-12-14-4-7-16(21-2)8-5-14/h4-9,11,13,20H,10,12,19H2,1-3H3
InChIKeyCVUGTCUXJSZLFT-UHFFFAOYSA-N
XLogP3.01
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.01
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-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
CID 82257453
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
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline?
The IUPAC name of 2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline (CID 82257451) is 2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline?
The canonical SMILES for 2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline is COc1ccc(CNC(C)Cc2ccc(OC)c(N)c2)cc1.
What is the InChIKey of 2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline?
The InChIKey is CVUGTCUXJSZLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(10-15-6-9-18(22-3)17(19)11-15)20-12-14-4-7-16(21-2)8-5-14/h4-9,11,13,20H,10,12,19H2,1-3H3.
What are the key properties of 2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline?
2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline has a molecular weight of 300.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline is sourced from PubChem (CID 82257451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).