N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine

C19H23NO — CID 60945450

IUPACN-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine
SMILESCOc1cccc(C(C)NC2CC(c3ccccc3)C2)c1
InChIInChI=1S/C19H23NO/c1-14(16-9-6-10-19(13-16)21-2)20-18-11-17(12-18)15-7-4-3-5-8-15/h3-10,13-14,17-18,20H,11-12H2,1-2H3
InChIKeyOHKGFMNGNPGCEN-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.29
Rot. Bonds5

About N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine

N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine (PubChem CID 60945450) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine
PubChem CID60945450
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine
SMILESCOc1cccc(C(C)NC2CC(c3ccccc3)C2)c1
InChIInChI=1S/C19H23NO/c1-14(16-9-6-10-19(13-16)21-2)20-18-11-17(12-18)15-7-4-3-5-8-15/h3-10,13-14,17-18,20H,11-12H2,1-2H3
InChIKeyOHKGFMNGNPGCEN-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
CID 43634110
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
CID 81375713
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393607
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 43632220
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467676
3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81376823

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine (CID 60945450) is N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine is COc1cccc(C(C)NC2CC(c3ccccc3)C2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine?
The InChIKey is OHKGFMNGNPGCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(16-9-6-10-19(13-16)21-2)20-18-11-17(12-18)15-7-4-3-5-8-15/h3-10,13-14,17-18,20H,11-12H2,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine?
N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 60945450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).