N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine

C13H18ClNO — CID 62596223

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClNO/c1-16-9-8-15-10-13(6-7-13)11-2-4-12(14)5-3-11/h2-5,15H,6-10H2,1H3
InChIKeySNIGLSDUGWFHHE-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.61
Rot. Bonds6

About N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 62596223) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
PubChem CID62596223
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClNO/c1-16-9-8-15-10-13(6-7-13)11-2-4-12(14)5-3-11/h2-5,15H,6-10H2,1H3
InChIKeySNIGLSDUGWFHHE-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine
CID 80525289
N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62595001
2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008191
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62594975
N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine
CID 62595688
N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine
CID 64997846
N-[[5-(2-chloro-6-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008181
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine
CID 80525666
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine (CID 62596223) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine is COCCNCC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is SNIGLSDUGWFHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-9-8-15-10-13(6-7-13)11-2-4-12(14)5-3-11/h2-5,15H,6-10H2,1H3.
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 239.75 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62596223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).