N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine

C18H21NO — CID 43632771

IUPACN-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCc2ccccc2)C1
InChIInChI=1S/C18H21NO/c1-20-18-10-6-5-9-17(18)15-11-16(12-15)19-13-14-7-3-2-4-8-14/h2-10,15-16,19H,11-13H2,1H3
InChIKeyAISPDAZKGZRQOY-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.73
Rot. Bonds5

About N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine

N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine (PubChem CID 43632771) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
PubChem CID43632771
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCc2ccccc2)C1
InChIInChI=1S/C18H21NO/c1-20-18-10-6-5-9-17(18)15-11-16(12-15)19-13-14-7-3-2-4-8-14/h2-10,15-16,19H,11-13H2,1H3
InChIKeyAISPDAZKGZRQOY-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43633599
N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 60779337
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632427
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 78953381
4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
CID 60782936
3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 61042870
3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 43633182
1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol
CID 63295043
2-[[3-(2-methoxyphenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635304
N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62635026

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine (CID 43632771) is N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine is COc1ccccc1C1CC(NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is AISPDAZKGZRQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-18-10-6-5-9-17(18)15-11-16(12-15)19-13-14-7-3-2-4-8-14/h2-10,15-16,19H,11-13H2,1H3.
What are the key properties of N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine?
N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43632771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).