1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine

C12H15ClN2O — CID 153072118

IUPAC1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(C)=C(N)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H15ClN2O/c1-8(7-15-2)12(14)9-4-5-11(16-3)10(13)6-9/h4-7H,14H2,1-3H3/b12-8?,15-7+
InChIKeyASUCNJIOAQNBNR-NKLGZUPOSA-N
MW238.72 g/mol
LogP2.74
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine

1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine (PubChem CID 153072118) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine
PubChem CID153072118
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(C)=C(N)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H15ClN2O/c1-8(7-15-2)12(14)9-4-5-11(16-3)10(13)6-9/h4-7H,14H2,1-3H3/b12-8?,15-7+
InChIKeyASUCNJIOAQNBNR-NKLGZUPOSA-N
XLogP2.74
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-amino-3-chloro-4-methoxybenzenecarboximidamide
CID 77052841
N'-[amino(methyl)amino]-3-chloro-4-methoxybenzenecarboximidamide
CID 143625648
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
N-(3-chloro-4-methoxyphenyl)propan-2-imine
CID 11745602
2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine
CID 149337281
2-chloro-1-methoxy-4-(1-phenylethenyl)benzene
CID 71342253
2-(3-chloro-4-methoxyphenyl)prop-2-enenitrile
CID 82075902
2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide
CID 62052942
2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide
CID 156545753
(2-amino-6-methoxyphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81414308
2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one
CID 116920607
(2S)-2-bromo-1-(3-chloro-4-methoxyphenyl)propan-1-one
CID 93257982

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine (CID 153072118) is 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine is C/N=C/C(C)=C(N)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine?
The InChIKey is ASUCNJIOAQNBNR-NKLGZUPOSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8(7-15-2)12(14)9-4-5-11(16-3)10(13)6-9/h4-7H,14H2,1-3H3/b12-8?,15-7+.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine?
1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine has a molecular weight of 238.72 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 153072118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).