3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

C16H27N — CID 62528904

IUPAC3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCc1ccc(CC(C)CNCC(C)C)cc1
InChIInChI=1S/C16H27N/c1-5-15-6-8-16(9-7-15)10-14(4)12-17-11-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyRNZWEKUYORBZBL-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.67
Rot. Bonds7

About 3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 62528904) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID62528904
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCc1ccc(CC(C)CNCC(C)C)cc1
InChIInChI=1S/C16H27N/c1-5-15-6-8-16(9-7-15)10-14(4)12-17-11-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyRNZWEKUYORBZBL-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 55083992
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 107290244
ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
CID 91246337
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
3-(1-ethylpyrazol-4-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528296
3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 64666892
2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63522949
2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine
CID 22955490
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 113425320
2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151559

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 62528904) is 3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is CCc1ccc(CC(C)CNCC(C)C)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is RNZWEKUYORBZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-15-6-8-16(9-7-15)10-14(4)12-17-11-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3.
What are the key properties of 3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 62528904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).