N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline

C19H24ClNO2 — CID 126120424

IUPACN-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline
SMILESCCCOc1c(Cl)cc(CNc2ccccc2C)cc1OCC
InChIInChI=1S/C19H24ClNO2/c1-4-10-23-19-16(20)11-15(12-18(19)22-5-2)13-21-17-9-7-6-8-14(17)3/h6-9,11-12,21H,4-5,10,13H2,1-3H3
InChIKeyCFPFTYQJRGARFU-UHFFFAOYSA-N
MW333.86 g/mol
LogP5.45
Rot. Bonds8

About N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline

N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline (PubChem CID 126120424) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline
PubChem CID126120424
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC NameN-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline
SMILESCCCOc1c(Cl)cc(CNc2ccccc2C)cc1OCC
InChIInChI=1S/C19H24ClNO2/c1-4-10-23-19-16(20)11-15(12-18(19)22-5-2)13-21-17-9-7-6-8-14(17)3/h6-9,11-12,21H,4-5,10,13H2,1-3H3
InChIKeyCFPFTYQJRGARFU-UHFFFAOYSA-N
XLogP5.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.86
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline 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

(1S)-N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylethanamine
CID 29226441
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylbutan-2-amine
CID 29226721
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
N-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline
CID 126121825
N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126122735
N-[[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126125349
N-[(3,4-diethoxy-5-prop-2-enylphenyl)methyl]-2-methylaniline
CID 126116662
3-chloro-N-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-methylaniline
CID 126123769
N-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methyl]-2-methylaniline
CID 126121219
5-chloro-N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118360
3-chloro-N-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-methylaniline
CID 126117260
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine
CID 29226592

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline (CID 126120424) is N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline is CCCOc1c(Cl)cc(CNc2ccccc2C)cc1OCC.
What is the InChIKey of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline?
The InChIKey is CFPFTYQJRGARFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-4-10-23-19-16(20)11-15(12-18(19)22-5-2)13-21-17-9-7-6-8-14(17)3/h6-9,11-12,21H,4-5,10,13H2,1-3H3.
What are the key properties of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline?
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline has a molecular weight of 333.86 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 126120424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).