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

C21H29N — CID 63496197

IUPAC2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
SMILESCc1ccccc1CC(CNCC(C)C)Cc1ccccc1
InChIInChI=1S/C21H29N/c1-17(2)15-22-16-20(13-19-10-5-4-6-11-19)14-21-12-8-7-9-18(21)3/h4-12,17,20,22H,13-16H2,1-3H3
InChIKeyAZVWYHUDUHWULF-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.64
Rot. Bonds8

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

2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine (PubChem CID 63496197) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
PubChem CID63496197
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
SMILESCc1ccccc1CC(CNCC(C)C)Cc1ccccc1
InChIInChI=1S/C21H29N/c1-17(2)15-22-16-20(13-19-10-5-4-6-11-19)14-21-12-8-7-9-18(21)3/h4-12,17,20,22H,13-16H2,1-3H3
InChIKeyAZVWYHUDUHWULF-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63498334
2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81017881
2-benzyl-N-(2-methylpropyl)-3-trimethylsilylpropan-1-amine
CID 106323109
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550727
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63496906
2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63496731
2-benzyl-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036646
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine (CID 63496197) is 2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine is Cc1ccccc1CC(CNCC(C)C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine?
The InChIKey is AZVWYHUDUHWULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-17(2)15-22-16-20(13-19-10-5-4-6-11-19)14-21-12-8-7-9-18(21)3/h4-12,17,20,22H,13-16H2,1-3H3.
What are the key properties of 2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine?
2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 63496197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).