3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine

C16H27N — CID 55132620

IUPAC3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine
SMILESCCc1ccc(CC(C(C)C)C(C)NC)cc1
InChIInChI=1S/C16H27N/c1-6-14-7-9-15(10-8-14)11-16(12(2)3)13(4)17-5/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyMQWLGBYGMPOFEP-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.67
Rot. Bonds6

About 3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine

3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine (PubChem CID 55132620) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine
PubChem CID55132620
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine
SMILESCCc1ccc(CC(C(C)C)C(C)NC)cc1
InChIInChI=1S/C16H27N/c1-6-14-7-9-15(10-8-14)11-16(12(2)3)13(4)17-5/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyMQWLGBYGMPOFEP-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 82920845
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
3-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 55132814
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105101340
N,4-dimethyl-3-(naphthalen-1-ylmethyl)pentan-2-amine
CID 62916002
1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945849
3-(4-ethylphenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 79492024
2-[(4-ethylphenyl)methyl]-3-methylbutanenitrile
CID 116931635
3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 63401781
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine
CID 61000357

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine (CID 55132620) is 3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine is CCc1ccc(CC(C(C)C)C(C)NC)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine?
The InChIKey is MQWLGBYGMPOFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-14-7-9-15(10-8-14)11-16(12(2)3)13(4)17-5/h7-10,12-13,16-17H,6,11H2,1-5H3.
What are the key properties of 3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine?
3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 55132620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).