4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine

C16H27N — CID 64717224

IUPAC4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)CC(C)(C)c1ccc(C)cc1C
InChIInChI=1S/C16H27N/c1-7-17-14(4)11-16(5,6)15-9-8-12(2)10-13(15)3/h8-10,14,17H,7,11H2,1-6H3
InChIKeyRSEWMXFWHHMQMA-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.97
Rot. Bonds5

About 4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine

4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine (PubChem CID 64717224) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
PubChem CID64717224
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)CC(C)(C)c1ccc(C)cc1C
InChIInChI=1S/C16H27N/c1-7-17-14(4)11-16(5,6)15-9-8-12(2)10-13(15)3/h8-10,14,17H,7,11H2,1-6H3
InChIKeyRSEWMXFWHHMQMA-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64715126
2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine
CID 115138395
N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine
CID 64715335
5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 106870193
4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 79739119
N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868
N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine
CID 79995989
3-(2,4-dimethylphenyl)-3-(ethylamino)butan-1-ol
CID 65235048
N-ethyl-4-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 64718083
1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 19090109
4-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 64718536
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine (CID 64717224) is 4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine is CCNC(C)CC(C)(C)c1ccc(C)cc1C.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine?
The InChIKey is RSEWMXFWHHMQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-7-17-14(4)11-16(5,6)15-9-8-12(2)10-13(15)3/h8-10,14,17H,7,11H2,1-6H3.
What are the key properties of 4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine?
4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 64717224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).