N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine

C20H27N — CID 43685384

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
SMILESCc1ccc(C(C)NC(c2ccccc2)C(C)C)cc1C
InChIInChI=1S/C20H27N/c1-14(2)20(18-9-7-6-8-10-18)21-17(5)19-12-11-15(3)16(4)13-19/h6-14,17,20-21H,1-5H3
InChIKeyGKTWSBSXVKXZFG-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.35
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine

N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 43685384) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID43685384
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
SMILESCc1ccc(C(C)NC(c2ccccc2)C(C)C)cc1C
InChIInChI=1S/C20H27N/c1-14(2)20(18-9-7-6-8-10-18)21-17(5)19-12-11-15(3)16(4)13-19/h6-14,17,20-21H,1-5H3
InChIKeyGKTWSBSXVKXZFG-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 83059762
N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685413
1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193661
1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43781909
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
1-(4-fluorophenyl)-N-[1-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685516
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylpent-1-yn-3-amine
CID 114202091
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
CID 93082546
3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol
CID 43685504
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383697

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine (CID 43685384) is N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine is Cc1ccc(C(C)NC(c2ccccc2)C(C)C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is GKTWSBSXVKXZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-14(2)20(18-9-7-6-8-10-18)21-17(5)19-12-11-15(3)16(4)13-19/h6-14,17,20-21H,1-5H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine?
N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 43685384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).