3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline

C17H20ClNO2 — CID 60943275

IUPAC3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
SMILESCCOc1ccc(NC(C)c2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-4-21-17-10-7-14(11-16(17)18)19-12(2)13-5-8-15(20-3)9-6-13/h5-12,19H,4H2,1-3H3
InChIKeyPXLKVWAXHWRHNZ-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.92
Rot. Bonds6

About 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline

3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline (PubChem CID 60943275) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
PubChem CID60943275
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
SMILESCCOc1ccc(NC(C)c2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-4-21-17-10-7-14(11-16(17)18)19-12(2)13-5-8-15(20-3)9-6-13/h5-12,19H,4H2,1-3H3
InChIKeyPXLKVWAXHWRHNZ-UHFFFAOYSA-N
XLogP4.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60935115
3-chloro-N-(1-phenylethyl)-4-propoxyaniline
CID 63451288
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
3-chloro-4-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917788
3-chloro-4-ethoxy-N-(1-methoxypropan-2-yl)aniline
CID 62534724
3-[1-(3-chloro-4-ethoxyanilino)ethyl]benzonitrile
CID 60943016
3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 54863996
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43736310
4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline
CID 43717339

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline (CID 60943275) is 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline is CCOc1ccc(NC(C)c2ccc(OC)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is PXLKVWAXHWRHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-4-21-17-10-7-14(11-16(17)18)19-12(2)13-5-8-15(20-3)9-6-13/h5-12,19H,4H2,1-3H3.
What are the key properties of 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline?
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 305.81 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 60943275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).