2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline

C16H27ClN2O — CID 81149934

IUPAC2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1ccc(CNCCOC)cc1Cl
InChIInChI=1S/C16H27ClN2O/c1-6-16(2,3)19(4)15-8-7-13(11-14(15)17)12-18-9-10-20-5/h7-8,11,18H,6,9-10,12H2,1-5H3
InChIKeyHKYDJSUMZOEYHK-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.70
Rot. Bonds8

About 2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline

2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline (PubChem CID 81149934) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
PubChem CID81149934
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1ccc(CNCCOC)cc1Cl
InChIInChI=1S/C16H27ClN2O/c1-6-16(2,3)19(4)15-8-7-13(11-14(15)17)12-18-9-10-20-5/h7-8,11,18H,6,9-10,12H2,1-5H3
InChIKeyHKYDJSUMZOEYHK-UHFFFAOYSA-N
XLogP3.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline 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-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 81148696
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 81144537
2-chloro-N-(cyclopropylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]aniline
CID 81149933
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 81146500
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 81294847
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63964432
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81147210
N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65365160
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79389708
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine
CID 17056671

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline?
The IUPAC name of 2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline (CID 81149934) is 2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline?
The canonical SMILES for 2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline is CCC(C)(C)N(C)c1ccc(CNCCOC)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline?
The InChIKey is HKYDJSUMZOEYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-6-16(2,3)19(4)15-8-7-13(11-14(15)17)12-18-9-10-20-5/h7-8,11,18H,6,9-10,12H2,1-5H3.
What are the key properties of 2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline?
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline has a molecular weight of 298.86 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline is sourced from PubChem (CID 81149934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).