3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine

C19H23NO — CID 104584378

IUPAC3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine
SMILESCOC1CC(NC(c2ccccc2)c2ccccc2C)C1
InChIInChI=1S/C19H23NO/c1-14-8-6-7-11-18(14)19(15-9-4-3-5-10-15)20-16-12-17(13-16)21-2/h3-11,16-17,19-20H,12-13H2,1-2H3
InChIKeyWHHCOQVYMROLHX-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.85
Rot. Bonds5

About 3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine

3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine (PubChem CID 104584378) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine
PubChem CID104584378
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine
SMILESCOC1CC(NC(c2ccccc2)c2ccccc2C)C1
InChIInChI=1S/C19H23NO/c1-14-8-6-7-11-18(14)19(15-9-4-3-5-10-15)20-16-12-17(13-16)21-2/h3-11,16-17,19-20H,12-13H2,1-2H3
InChIKeyWHHCOQVYMROLHX-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
CID 104584456
3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
CID 104584425
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 113414416
N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
CID 16773686
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine
CID 75420160
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol
CID 110011394
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine
CID 103779604
3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 104871139

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine (CID 104584378) is 3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine is COC1CC(NC(c2ccccc2)c2ccccc2C)C1.
What is the InChIKey of 3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine?
The InChIKey is WHHCOQVYMROLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-8-6-7-11-18(14)19(15-9-4-3-5-10-15)20-16-12-17(13-16)21-2/h3-11,16-17,19-20H,12-13H2,1-2H3.
What are the key properties of 3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine?
3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine is sourced from PubChem (CID 104584378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).