3-chloro-4-(cyclopropylmethoxy)aniline

C10H12ClNO — CID 19626993

IUPAC3-chloro-4-(cyclopropylmethoxy)aniline
SMILESNc1ccc(OCC2CC2)c(Cl)c1
InChIInChI=1S/C10H12ClNO/c11-9-5-8(12)3-4-10(9)13-6-7-1-2-7/h3-5,7H,1-2,6,12H2
InChIKeyKXRNVHQPIZQVTB-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.71
Rot. Bonds3

About 3-chloro-4-(cyclopropylmethoxy)aniline

3-chloro-4-(cyclopropylmethoxy)aniline (PubChem CID 19626993) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-chloro-4-(cyclopropylmethoxy)aniline.

Molecular Properties

Compound Name3-chloro-4-(cyclopropylmethoxy)aniline
PubChem CID19626993
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name3-chloro-4-(cyclopropylmethoxy)aniline
SMILESNc1ccc(OCC2CC2)c(Cl)c1
InChIInChI=1S/C10H12ClNO/c11-9-5-8(12)3-4-10(9)13-6-7-1-2-7/h3-5,7H,1-2,6,12H2
InChIKeyKXRNVHQPIZQVTB-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-4-(cyclopropylmethoxy)aniline 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

3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
CID 69019788
5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
CID 130549167
3-chloro-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896125
2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide
CID 169368937
4-(cycloheptylmethoxy)-3-iodoaniline
CID 114248007
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
2-chloro-1-(cyclopropylmethoxy)-4-isocyanatobenzene
CID 169355278
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
3-chloro-4-(cyclohexylmethoxy)benzonitrile
CID 60667232
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(cyclopropylmethoxy)aniline?
The IUPAC name of 3-chloro-4-(cyclopropylmethoxy)aniline (CID 19626993) is 3-chloro-4-(cyclopropylmethoxy)aniline.
What is the SMILES notation for 3-chloro-4-(cyclopropylmethoxy)aniline?
The canonical SMILES for 3-chloro-4-(cyclopropylmethoxy)aniline is Nc1ccc(OCC2CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(cyclopropylmethoxy)aniline?
The InChIKey is KXRNVHQPIZQVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-9-5-8(12)3-4-10(9)13-6-7-1-2-7/h3-5,7H,1-2,6,12H2.
What are the key properties of 3-chloro-4-(cyclopropylmethoxy)aniline?
3-chloro-4-(cyclopropylmethoxy)aniline has a molecular weight of 197.67 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(cyclopropylmethoxy)aniline is sourced from PubChem (CID 19626993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).