N-(3-chloro-4-methoxyphenyl)propan-2-imine

C10H12ClNO — CID 11745602

IUPACN-(3-chloro-4-methoxyphenyl)propan-2-imine
SMILESCOc1ccc(N=C(C)C)cc1Cl
InChIInChI=1S/C10H12ClNO/c1-7(2)12-8-4-5-10(13-3)9(11)6-8/h4-6H,1-3H3
InChIKeyKCKIFTWRFMMYKZ-UHFFFAOYSA-N
MW197.66 g/mol
LogP3.46
Rot. Bonds2

About N-(3-chloro-4-methoxyphenyl)propan-2-imine

N-(3-chloro-4-methoxyphenyl)propan-2-imine (PubChem CID 11745602) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)propan-2-imine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)propan-2-imine
PubChem CID11745602
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)propan-2-imine
SMILESCOc1ccc(N=C(C)C)cc1Cl
InChIInChI=1S/C10H12ClNO/c1-7(2)12-8-4-5-10(13-3)9(11)6-8/h4-6H,1-3H3
InChIKeyKCKIFTWRFMMYKZ-UHFFFAOYSA-N
XLogP3.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methoxyphenyl)propan-2-imine 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

N-(4-methoxy-3-methylphenyl)propan-2-imine
CID 139454493
N'-(4-chloro-3-methoxyphenyl)ethanimidamide
CID 107623277
(1E)-1-[amino-(3-chloro-4-methoxyanilino)methylidene]-2-(3-chloro-4-methoxyphenyl)guanidine;hydrochloride
CID 53307395
2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
N'-amino-3-chloro-4-methoxybenzenecarboximidamide
CID 77052841
1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine
CID 21211700
N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine
CID 5106503
1-(3-chloro-4-methoxyphenyl)sulfonylethanone
CID 117037093
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
(E)-4-(3-chloro-4-methoxyphenyl)but-3-en-2-one
CID 65021560
2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol
CID 3277239

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)propan-2-imine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)propan-2-imine (CID 11745602) is N-(3-chloro-4-methoxyphenyl)propan-2-imine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)propan-2-imine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)propan-2-imine is COc1ccc(N=C(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)propan-2-imine?
The InChIKey is KCKIFTWRFMMYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7(2)12-8-4-5-10(13-3)9(11)6-8/h4-6H,1-3H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)propan-2-imine?
N-(3-chloro-4-methoxyphenyl)propan-2-imine has a molecular weight of 197.66 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)propan-2-imine is sourced from PubChem (CID 11745602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).