5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline

C16H27ClN2O — CID 114848415

IUPAC5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1cc(Cl)ccc1CNCCOC
InChIInChI=1S/C16H27ClN2O/c1-5-15(6-2)19(3)16-11-14(17)8-7-13(16)12-18-9-10-20-4/h7-8,11,15,18H,5-6,9-10,12H2,1-4H3
InChIKeyDVDDYMZEVSGBST-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.70
Rot. Bonds9

About 5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline

5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline (PubChem CID 114848415) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline.

Molecular Properties

Compound Name5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline
PubChem CID114848415
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1cc(Cl)ccc1CNCCOC
InChIInChI=1S/C16H27ClN2O/c1-5-15(6-2)19(3)16-11-14(17)8-7-13(16)12-18-9-10-20-4/h7-8,11,15,18H,5-6,9-10,12H2,1-4H3
InChIKeyDVDDYMZEVSGBST-UHFFFAOYSA-N
XLogP3.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 114853300
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 114853324
5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847908
1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 114850641
4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 63060764
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114848617
5-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849967
2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 114849250
N-[(4-chloro-2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 114863829
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 114851380
N-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]-N-methylthiolan-3-amine
CID 114848119
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline?
The IUPAC name of 5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline (CID 114848415) is 5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline.
What is the SMILES notation for 5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline?
The canonical SMILES for 5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline is CCC(CC)N(C)c1cc(Cl)ccc1CNCCOC.
What is the InChIKey of 5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline?
The InChIKey is DVDDYMZEVSGBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-5-15(6-2)19(3)16-11-14(17)8-7-13(16)12-18-9-10-20-4/h7-8,11,15,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline?
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline has a molecular weight of 298.86 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline is sourced from PubChem (CID 114848415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).