2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine

C17H28ClNO — CID 106869532

IUPAC2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(CC)(CNCCOC)Cc1ccc(C)cc1Cl
InChIInChI=1S/C17H28ClNO/c1-5-17(6-2,13-19-9-10-20-4)12-15-8-7-14(3)11-16(15)18/h7-8,11,19H,5-6,9-10,12-13H2,1-4H3
InChIKeyYBABMUBPRIIECG-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.23
Rot. Bonds9

About 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine

2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine (PubChem CID 106869532) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
PubChem CID106869532
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(CC)(CNCCOC)Cc1ccc(C)cc1Cl
InChIInChI=1S/C17H28ClNO/c1-5-17(6-2,13-19-9-10-20-4)12-15-8-7-14(3)11-16(15)18/h7-8,11,19H,5-6,9-10,12-13H2,1-4H3
InChIKeyYBABMUBPRIIECG-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 106869525
2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725440
2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106256109
2-ethyl-N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 63508272
1-(2-chloro-4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037305
2-ethyl-N-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]hexan-1-amine
CID 63508441
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 65318529
N-[[1-[(2-chloro-4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methoxyethanamine
CID 106870123
3-(2-chloro-4-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62671685
2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112644117
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylbutan-2-ol
CID 106862763
2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 106862592

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine (CID 106869532) is 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine is CCC(CC)(CNCCOC)Cc1ccc(C)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is YBABMUBPRIIECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-5-17(6-2,13-19-9-10-20-4)12-15-8-7-14(3)11-16(15)18/h7-8,11,19H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine?
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 106869532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).