2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine

C15H24ClNO — CID 103984352

IUPAC2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine
SMILESCOCC(CNCC(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-12(2)9-17-10-14(11-18-3)7-13-5-4-6-15(16)8-13/h4-6,8,12,14,17H,7,9-11H2,1-3H3
InChIKeyDENMDZCKFOVTKK-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.39
Rot. Bonds8

About 2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine

2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine (PubChem CID 103984352) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine
PubChem CID103984352
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine
SMILESCOCC(CNCC(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-12(2)9-17-10-14(11-18-3)7-13-5-4-6-15(16)8-13/h4-6,8,12,14,17H,7,9-11H2,1-3H3
InChIKeyDENMDZCKFOVTKK-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63522996
2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 62514731
2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138262
2-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979377
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456686
2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 63504029
5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 62514571
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456688
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine
CID 104649236
2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine
CID 65178041
2-[(3-chlorophenyl)methyl]-4-methoxybutan-1-ol
CID 66057400

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine (CID 103984352) is 2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine is COCC(CNCC(C)C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine?
The InChIKey is DENMDZCKFOVTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-12(2)9-17-10-14(11-18-3)7-13-5-4-6-15(16)8-13/h4-6,8,12,14,17H,7,9-11H2,1-3H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine?
2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 103984352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).