2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline

C16H27ClN2O2 — CID 62913078

IUPAC2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(N(CCOC)C(C)COC)c(Cl)c1
InChIInChI=1S/C16H27ClN2O2/c1-12(11-21-5)19(8-9-20-4)16-7-6-14(10-15(16)17)13(2)18-3/h6-7,10,12-13,18H,8-9,11H2,1-5H3
InChIKeyNJCGHJHBDYOWHJ-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.11
Rot. Bonds9

About 2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline

2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline (PubChem CID 62913078) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline
PubChem CID62913078
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(N(CCOC)C(C)COC)c(Cl)c1
InChIInChI=1S/C16H27ClN2O2/c1-12(11-21-5)19(8-9-20-4)16-7-6-14(10-15(16)17)13(2)18-3/h6-7,10,12-13,18H,8-9,11H2,1-5H3
InChIKeyNJCGHJHBDYOWHJ-UHFFFAOYSA-N
XLogP3.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]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

1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950972
2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-[1-(methylamino)ethyl]aniline
CID 63697573
2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 55223220
N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 82951035
2-bromo-N-ethyl-N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]aniline
CID 55131115
2-bromo-N-(2-methoxyethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910434
4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 55189591
(1R)-1-[3-chloro-4-[2-methoxyethyl(methyl)amino]phenyl]ethanol
CID 63371408
2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline
CID 63533263
2-bromo-N-butan-2-yl-4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)aniline
CID 62912370
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005527
4-(chloromethyl)-2-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005281

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline (CID 62913078) is 2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline is CNC(C)c1ccc(N(CCOC)C(C)COC)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline?
The InChIKey is NJCGHJHBDYOWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O2/c1-12(11-21-5)19(8-9-20-4)16-7-6-14(10-15(16)17)13(2)18-3/h6-7,10,12-13,18H,8-9,11H2,1-5H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline?
2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline has a molecular weight of 314.86 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 62913078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).