4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine

C20H35N — CID 82925868

IUPAC4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine
SMILESCCC(CC)CC(CNCC(C)C)Cc1cccc(C)c1
InChIInChI=1S/C20H35N/c1-6-18(7-2)12-20(15-21-14-16(3)4)13-19-10-8-9-17(5)11-19/h8-11,16,18,20-21H,6-7,12-15H2,1-5H3
InChIKeyQIQIUFYYDJIAMW-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.23
Rot. Bonds10

About 4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine

4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine (PubChem CID 82925868) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine
PubChem CID82925868
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine
SMILESCCC(CC)CC(CNCC(C)C)Cc1cccc(C)c1
InChIInChI=1S/C20H35N/c1-6-18(7-2)12-20(15-21-14-16(3)4)13-19-10-8-9-17(5)11-19/h8-11,16,18,20-21H,6-7,12-15H2,1-5H3
InChIKeyQIQIUFYYDJIAMW-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62530963
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 106456671
N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine
CID 104819290
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550383
2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930447
N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
CID 62516103
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63496731
N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine
CID 63520839

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine (CID 82925868) is 4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine is CCC(CC)CC(CNCC(C)C)Cc1cccc(C)c1.
What is the InChIKey of 4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is QIQIUFYYDJIAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-6-18(7-2)12-20(15-21-14-16(3)4)13-19-10-8-9-17(5)11-19/h8-11,16,18,20-21H,6-7,12-15H2,1-5H3.
What are the key properties of 4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine?
4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 82925868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).