2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine

C19H25N — CID 43433325

IUPAC2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine
SMILESCc1cccc(CNC(c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C19H25N/c1-15-9-8-10-16(13-15)14-20-18(19(2,3)4)17-11-6-5-7-12-17/h5-13,18,20H,14H2,1-4H3
InChIKeyZLHVNEDOWVMUOY-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.87
Rot. Bonds4

About 2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine

2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine (PubChem CID 43433325) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine
PubChem CID43433325
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine
SMILESCc1cccc(CNC(c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C19H25N/c1-15-9-8-10-16(13-15)14-20-18(19(2,3)4)17-11-6-5-7-12-17/h5-13,18,20H,14H2,1-4H3
InChIKeyZLHVNEDOWVMUOY-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 62780389
N"-[(3-methylphenyl)methyl]methanetriamine
CID 144552123
4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
CID 103949947
N-[(3-methylphenyl)methyl]-2,2-diphenylacetamide
CID 38293786
N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
CID 62046972
[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol
CID 107230552
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749
3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 106345275
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885665
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885667

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine (CID 43433325) is 2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine is Cc1cccc(CNC(c2ccccc2)C(C)(C)C)c1.
What is the InChIKey of 2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine?
The InChIKey is ZLHVNEDOWVMUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-15-9-8-10-16(13-15)14-20-18(19(2,3)4)17-11-6-5-7-12-17/h5-13,18,20H,14H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine?
2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 43433325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).