N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine

C18H31N — CID 63833817

IUPACN-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine
SMILESCCNC(Cc1ccccc1C)CC(C)C(C)(C)C
InChIInChI=1S/C18H31N/c1-7-19-17(12-15(3)18(4,5)6)13-16-11-9-8-10-14(16)2/h8-11,15,17,19H,7,12-13H2,1-6H3
InChIKeyDDIKBUIKFPPGOR-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.59
Rot. Bonds6

About N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine

N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine (PubChem CID 63833817) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine
PubChem CID63833817
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine
SMILESCCNC(Cc1ccccc1C)CC(C)C(C)(C)C
InChIInChI=1S/C18H31N/c1-7-19-17(12-15(3)18(4,5)6)13-16-11-9-8-10-14(16)2/h8-11,15,17,19H,7,12-13H2,1-6H3
InChIKeyDDIKBUIKFPPGOR-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 60818877
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
CID 55090548
N-ethyl-1-(2-methylphenyl)decan-2-amine
CID 63417244
1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 63833464
2,2-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]propan-1-amine
CID 61325570
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 62603564
N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
CID 61065068
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637
1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 65140412

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine?
The IUPAC name of N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine (CID 63833817) is N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine.
What is the SMILES notation for N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine?
The canonical SMILES for N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine is CCNC(Cc1ccccc1C)CC(C)C(C)(C)C.
What is the InChIKey of N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine?
The InChIKey is DDIKBUIKFPPGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-7-19-17(12-15(3)18(4,5)6)13-16-11-9-8-10-14(16)2/h8-11,15,17,19H,7,12-13H2,1-6H3.
What are the key properties of N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine?
N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine has a molecular weight of 261.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine is sourced from PubChem (CID 63833817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).