2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine

C12H18ClNO — CID 66438264

IUPAC2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-10(9-14-7-8-15-2)11-5-3-4-6-12(11)13/h3-6,10,14H,7-9H2,1-2H3
InChIKeyRMHSGXWZRHFYKE-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.68
Rot. Bonds6

About 2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine

2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 66438264) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID66438264
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-10(9-14-7-8-15-2)11-5-3-4-6-12(11)13/h3-6,10,14H,7-9H2,1-2H3
InChIKeyRMHSGXWZRHFYKE-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.68
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-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 79449341
2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457186
2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 66241764
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 103036937
2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
CID 55088725
3-(2-chlorophenyl)-N-propylbutan-1-amine
CID 81019163
1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412300
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82936076
4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665475
1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
CID 115475001
N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542963

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine (CID 66438264) is 2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is RMHSGXWZRHFYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-10(9-14-7-8-15-2)11-5-3-4-6-12(11)13/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine?
2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 66438264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).