3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine

C21H29N — CID 137482894

IUPAC3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine
SMILESCc1cccc(C)c1CCc1cccc(CCCN(C)C)c1
InChIInChI=1S/C21H29N/c1-17-8-5-9-18(2)21(17)14-13-20-11-6-10-19(16-20)12-7-15-22(3)4/h5-6,8-11,16H,7,12-15H2,1-4H3
InChIKeyOWHSDGJHPIDZHY-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.58
Rot. Bonds7

About 3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine

3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 137482894) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine
PubChem CID137482894
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine
SMILESCc1cccc(C)c1CCc1cccc(CCCN(C)C)c1
InChIInChI=1S/C21H29N/c1-17-8-5-9-18(2)21(17)14-13-20-11-6-10-19(16-20)12-7-15-22(3)4/h5-6,8-11,16H,7,12-15H2,1-4H3
InChIKeyOWHSDGJHPIDZHY-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine
CID 170865946
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 170866061
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine
CID 3024726
N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170866457
2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
1,3-dimethyl-2-[2-(4-methylphenyl)ethyl]benzene
CID 143282666
N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine
CID 143173592
2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
CID 170866152

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine (CID 137482894) is 3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine is Cc1cccc(C)c1CCc1cccc(CCCN(C)C)c1.
What is the InChIKey of 3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is OWHSDGJHPIDZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-17-8-5-9-18(2)21(17)14-13-20-11-6-10-19(16-20)12-7-15-22(3)4/h5-6,8-11,16H,7,12-15H2,1-4H3.
What are the key properties of 3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine?
3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 137482894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).