2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline

C16H18N2O — CID 139982453

IUPAC2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline
SMILESCOc1cccc(/C=N/C(C)c2ccccc2N)c1
InChIInChI=1S/C16H18N2O/c1-12(15-8-3-4-9-16(15)17)18-11-13-6-5-7-14(10-13)19-2/h3-12H,17H2,1-2H3/b18-11+
InChIKeyDNUZULLTXIKFJR-WOJGMQOQSA-N
MW254.33 g/mol
LogP3.46
Rot. Bonds4

About 2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline

2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline (PubChem CID 139982453) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline.

Molecular Properties

Compound Name2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline
PubChem CID139982453
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline
SMILESCOc1cccc(/C=N/C(C)c2ccccc2N)c1
InChIInChI=1S/C16H18N2O/c1-12(15-8-3-4-9-16(15)17)18-11-13-6-5-7-14(10-13)19-2/h3-12H,17H2,1-2H3/b18-11+
InChIKeyDNUZULLTXIKFJR-WOJGMQOQSA-N
XLogP3.46
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
CID 23423541
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine
CID 134883991
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
1-naphthalen-2-yl-N-[(1S)-1-naphthalen-1-ylethyl]methanimine
CID 139062261
1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22482993
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine
CID 22483313
N-[(3-methoxyphenyl)methylideneamino]-N-methylaniline
CID 3291693
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5413551
1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine
CID 166950258
1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine
CID 18915525

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline?
The IUPAC name of 2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline (CID 139982453) is 2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline.
What is the SMILES notation for 2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline?
The canonical SMILES for 2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline is COc1cccc(/C=N/C(C)c2ccccc2N)c1.
What is the InChIKey of 2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline?
The InChIKey is DNUZULLTXIKFJR-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(15-8-3-4-9-16(15)17)18-11-13-6-5-7-14(10-13)19-2/h3-12H,17H2,1-2H3/b18-11+.
What are the key properties of 2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline?
2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline has a molecular weight of 254.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline is sourced from PubChem (CID 139982453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).