N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline

C16H18ClNO — CID 54864881

IUPACN-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
SMILESCCOc1cccc(NC(C)c2ccccc2Cl)c1
InChIInChI=1S/C16H18ClNO/c1-3-19-14-8-6-7-13(11-14)18-12(2)15-9-4-5-10-16(15)17/h4-12,18H,3H2,1-2H3
InChIKeyGOOREMDPBWACRT-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.91
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline

N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline (PubChem CID 54864881) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
PubChem CID54864881
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
SMILESCCOc1cccc(NC(C)c2ccccc2Cl)c1
InChIInChI=1S/C16H18ClNO/c1-3-19-14-8-6-7-13(11-14)18-12(2)15-9-4-5-10-16(15)17/h4-12,18H,3H2,1-2H3
InChIKeyGOOREMDPBWACRT-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline
CID 63449937
2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine
CID 133360412
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
CID 60935970
3-ethoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 60935217
3-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917474
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline (CID 54864881) is N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline is CCOc1cccc(NC(C)c2ccccc2Cl)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline?
The InChIKey is GOOREMDPBWACRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-19-14-8-6-7-13(11-14)18-12(2)15-9-4-5-10-16(15)17/h4-12,18H,3H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline?
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline has a molecular weight of 275.78 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline is sourced from PubChem (CID 54864881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).