N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine

C20H25N — CID 62531282

IUPACN-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
SMILESCc1cccc(CC(CNC2CC2)Cc2ccccc2)c1
InChIInChI=1S/C20H25N/c1-16-6-5-9-18(12-16)14-19(15-21-20-10-11-20)13-17-7-3-2-4-8-17/h2-9,12,19-21H,10-11,13-15H2,1H3
InChIKeyUFLGDFYZYRYYDH-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.15
Rot. Bonds7

About N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine

N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine (PubChem CID 62531282) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
PubChem CID62531282
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
SMILESCc1cccc(CC(CNC2CC2)Cc2ccccc2)c1
InChIInChI=1S/C20H25N/c1-16-6-5-9-18(12-16)14-19(15-21-20-10-11-20)13-17-7-3-2-4-8-17/h2-9,12,19-21H,10-11,13-15H2,1H3
InChIKeyUFLGDFYZYRYYDH-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(methoxymethyl)-3-(3-methylphenyl)propyl]cyclopropanamine
CID 113361834
N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine
CID 63521195
N-[2-[(3-methylphenyl)methyl]-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine
CID 116617646
N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 82933526
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63496188
2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556
2-benzyl-3-(cyclopropylamino)propan-1-ol
CID 117241557
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781
2-benzyl-N'-cyclobutylpropane-1,3-diamine
CID 117241558
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
N-(2-benzylbutyl)-1-methylpiperidin-4-amine
CID 50954737

Frequently Asked Questions

What is the IUPAC name of N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine (CID 62531282) is N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine is Cc1cccc(CC(CNC2CC2)Cc2ccccc2)c1.
What is the InChIKey of N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine?
The InChIKey is UFLGDFYZYRYYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-16-6-5-9-18(12-16)14-19(15-21-20-10-11-20)13-17-7-3-2-4-8-17/h2-9,12,19-21H,10-11,13-15H2,1H3.
What are the key properties of N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine?
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine has a molecular weight of 279.43 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine is sourced from PubChem (CID 62531282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).