N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine

C15H23NO — CID 113450002

IUPACN-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1cccc(C2CC2)c1
InChIInChI=1S/C15H23NO/c1-15(2,17-3)11-16-10-12-5-4-6-14(9-12)13-7-8-13/h4-6,9,13,16H,7-8,10-11H2,1-3H3
InChIKeyHKKNXISWNCVORT-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.08
Rot. Bonds6

About N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine

N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 113450002) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
PubChem CID113450002
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1cccc(C2CC2)c1
InChIInChI=1S/C15H23NO/c1-15(2,17-3)11-16-10-12-5-4-6-14(9-12)13-7-8-13/h4-6,9,13,16H,7-8,10-11H2,1-3H3
InChIKeyHKKNXISWNCVORT-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656052
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79984386
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151346
2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978936
N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79983696
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide
CID 79979589

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine (CID 113450002) is N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNCc1cccc(C2CC2)c1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is HKKNXISWNCVORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,17-3)11-16-10-12-5-4-6-14(9-12)13-7-8-13/h4-6,9,13,16H,7-8,10-11H2,1-3H3.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 113450002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).