2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine

C20H27N — CID 63496188

IUPAC2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1cccc(CC(CNC(C)C)Cc2ccccc2)c1
InChIInChI=1S/C20H27N/c1-16(2)21-15-20(13-18-9-5-4-6-10-18)14-19-11-7-8-17(3)12-19/h4-12,16,20-21H,13-15H2,1-3H3
InChIKeyIBVYEIIKFFTVRE-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.39
Rot. Bonds7

About 2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine

2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 63496188) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID63496188
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1cccc(CC(CNC(C)C)Cc2ccccc2)c1
InChIInChI=1S/C20H27N/c1-16(2)21-15-20(13-18-9-5-4-6-10-18)14-19-11-7-8-17(3)12-19/h4-12,16,20-21H,13-15H2,1-3H3
InChIKeyIBVYEIIKFFTVRE-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529354
2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 107897187
2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462
2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361817
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
CID 54165466
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 116545803

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine (CID 63496188) is 2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine is Cc1cccc(CC(CNC(C)C)Cc2ccccc2)c1.
What is the InChIKey of 2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is IBVYEIIKFFTVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-16(2)21-15-20(13-18-9-5-4-6-10-18)14-19-11-7-8-17(3)12-19/h4-12,16,20-21H,13-15H2,1-3H3.
What are the key properties of 2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine?
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63496188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).