N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine

C15H22ClNO — CID 114229873

IUPACN-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1C(c2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C15H22ClNO/c1-15(2)13(10-17-7-8-18-3)14(15)11-5-4-6-12(16)9-11/h4-6,9,13-14,17H,7-8,10H2,1-3H3
InChIKeyCSJLRGFRJQHHJL-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.32
Rot. Bonds6

About N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine

N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 114229873) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine
PubChem CID114229873
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1C(c2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C15H22ClNO/c1-15(2)13(10-17-7-8-18-3)14(15)11-5-4-6-12(16)9-11/h4-6,9,13-14,17H,7-8,10H2,1-3H3
InChIKeyCSJLRGFRJQHHJL-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine 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-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 114229819
N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014676
N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine
CID 64997846
4-(3-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598026
3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine
CID 81422325
1-[(3-chlorophenyl)methyl]-3-(4-methoxybutyl)urea
CID 47217383
N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63071176
N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 81160781
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 39438794
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 60684435
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63070975

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine (CID 114229873) is N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine is COCCNCC1C(c2cccc(Cl)c2)C1(C)C.
What is the InChIKey of N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is CSJLRGFRJQHHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-15(2)13(10-17-7-8-18-3)14(15)11-5-4-6-12(16)9-11/h4-6,9,13-14,17H,7-8,10H2,1-3H3.
What are the key properties of N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine?
N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 267.80 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114229873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).