N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine

C20H23N — CID 114605475

IUPACN-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(-c2ccccc2C2CCC2)c1
InChIInChI=1S/C20H23N/c1-2-10-20(19(9-1)16-6-4-7-16)17-8-3-5-15(13-17)14-21-18-11-12-18/h1-3,5,8-10,13,16,18,21H,4,6-7,11-12,14H2
InChIKeyIHVRKXDDVVPKQZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.87
Rot. Bonds5

About N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine

N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 114605475) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine
PubChem CID114605475
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(-c2ccccc2C2CCC2)c1
InChIInChI=1S/C20H23N/c1-2-10-20(19(9-1)16-6-4-7-16)17-8-3-5-15(13-17)14-21-18-11-12-18/h1-3,5,8-10,13,16,18,21H,4,6-7,11-12,14H2
InChIKeyIHVRKXDDVVPKQZ-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-cyclobutyl-2-phenylbenzene
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N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
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N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448
N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
CID 116545362
N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61032671
N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine
CID 102708741
3-[(cyclobutylamino)methyl]phenol
CID 62416890

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine (CID 114605475) is N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine is c1cc(CNC2CC2)cc(-c2ccccc2C2CCC2)c1.
What is the InChIKey of N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is IHVRKXDDVVPKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-2-10-20(19(9-1)16-6-4-7-16)17-8-3-5-15(13-17)14-21-18-11-12-18/h1-3,5,8-10,13,16,18,21H,4,6-7,11-12,14H2.
What are the key properties of N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine?
N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114605475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).