2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine

C15H23NO — CID 115592635

IUPAC2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
SMILESCOc1ccc(C)cc1CNCC(C)C1CC1
InChIInChI=1S/C15H23NO/c1-11-4-7-15(17-3)14(8-11)10-16-9-12(2)13-5-6-13/h4,7-8,12-13,16H,5-6,9-10H2,1-3H3
InChIKeyAHXNKZXMTBUUQU-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.14
Rot. Bonds6

About 2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine

2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine (PubChem CID 115592635) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
PubChem CID115592635
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
SMILESCOc1ccc(C)cc1CNCC(C)C1CC1
InChIInChI=1S/C15H23NO/c1-11-4-7-15(17-3)14(8-11)10-16-9-12(2)13-5-6-13/h4,7-8,12-13,16H,5-6,9-10H2,1-3H3
InChIKeyAHXNKZXMTBUUQU-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43431597
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115592709
N'-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252463
N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588261
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 60744416
2-amino-3-[(2-methoxy-5-methylphenyl)methylamino]propanoic acid
CID 115240648
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methoxy-5-methylphenyl)methanamine
CID 103838733
2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 115592760
N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223569
N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43406710

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine (CID 115592635) is 2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine is COc1ccc(C)cc1CNCC(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is AHXNKZXMTBUUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-4-7-15(17-3)14(8-11)10-16-9-12(2)13-5-6-13/h4,7-8,12-13,16H,5-6,9-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115592635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).