N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline

C17H20ClNO2 — CID 66541803

IUPACN-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline
SMILESCCOc1cc(Cl)c(CNc2ccccc2)cc1OCC
InChIInChI=1S/C17H20ClNO2/c1-3-20-16-10-13(15(18)11-17(16)21-4-2)12-19-14-8-6-5-7-9-14/h5-11,19H,3-4,12H2,1-2H3
InChIKeyZHDZSWAUDWNLKO-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.75
Rot. Bonds7

About N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline

N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline (PubChem CID 66541803) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline
PubChem CID66541803
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline
SMILESCCOc1cc(Cl)c(CNc2ccccc2)cc1OCC
InChIInChI=1S/C17H20ClNO2/c1-3-20-16-10-13(15(18)11-17(16)21-4-2)12-19-14-8-6-5-7-9-14/h5-11,19H,3-4,12H2,1-2H3
InChIKeyZHDZSWAUDWNLKO-UHFFFAOYSA-N
XLogP4.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-4-fluoroaniline
CID 66542323
N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 66540779
4-chloro-N-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 66542531
4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542477
N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
CID 66542397
4-bromo-N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]aniline
CID 66541758
ethyl 4-[(2-chloro-4,5-diethoxyphenyl)methylamino]benzoate
CID 66542035
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
1-[(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385814
N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide
CID 66541994
2-chloro-4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542751
N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide
CID 66540513

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline?
The IUPAC name of N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline (CID 66541803) is N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline.
What is the SMILES notation for N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline?
The canonical SMILES for N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline is CCOc1cc(Cl)c(CNc2ccccc2)cc1OCC.
What is the InChIKey of N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline?
The InChIKey is ZHDZSWAUDWNLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-20-16-10-13(15(18)11-17(16)21-4-2)12-19-14-8-6-5-7-9-14/h5-11,19H,3-4,12H2,1-2H3.
What are the key properties of N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline?
N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline has a molecular weight of 305.81 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline is sourced from PubChem (CID 66541803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).