N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline

C17H20ClNO — CID 43682265

IUPACN-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-3-12-20-17-7-5-4-6-16(17)19-13(2)14-8-10-15(18)11-9-14/h4-11,13,19H,3,12H2,1-2H3
InChIKeyYIAMKSHXOHJCJV-UHFFFAOYSA-N
MW289.81 g/mol
LogP5.30
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline

N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline (PubChem CID 43682265) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
PubChem CID43682265
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-3-12-20-17-7-5-4-6-16(17)19-13(2)14-8-10-15(18)11-9-14/h4-11,13,19H,3,12H2,1-2H3
InChIKeyYIAMKSHXOHJCJV-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.81
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
CID 43682271
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-propoxyaniline
CID 43780690
N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
CID 43682326
N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline
CID 43693690
2-propoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43682309
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342
5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
CID 63453286
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
N-(1,1-difluoropropan-2-yl)-2-propoxyaniline
CID 102868377
2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43109686
N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline
CID 104652355
2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43108494

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline (CID 43682265) is N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline is CCCOc1ccccc1NC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline?
The InChIKey is YIAMKSHXOHJCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-12-20-17-7-5-4-6-16(17)19-13(2)14-8-10-15(18)11-9-14/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline?
N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline has a molecular weight of 289.81 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline is sourced from PubChem (CID 43682265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).