2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline

C17H19Cl2NO — CID 43108494

IUPAC2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
SMILESCCCOc1ccc(C(C)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-3-10-21-15-7-4-13(5-8-15)12(2)20-17-11-14(18)6-9-16(17)19/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyXIGAAFYUUQPKRT-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.96
Rot. Bonds6

About 2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline

2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline (PubChem CID 43108494) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
PubChem CID43108494
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
SMILESCCCOc1ccc(C(C)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-3-10-21-15-7-4-13(5-8-15)12(2)20-17-11-14(18)6-9-16(17)19/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyXIGAAFYUUQPKRT-UHFFFAOYSA-N
XLogP5.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196
2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43103926
2-bromo-3-chloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 103478542
2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
CID 107527481
2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43109686
N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline
CID 43693690
N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
CID 43682265
5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60935115
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
CID 104726016
3-bromo-4-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 104775825
2-[4-[1-(2,4-dichloroanilino)ethyl]phenoxy]acetonitrile
CID 43758671

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline?
The IUPAC name of 2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline (CID 43108494) is 2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline is CCCOc1ccc(C(C)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline?
The InChIKey is XIGAAFYUUQPKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-10-21-15-7-4-13(5-8-15)12(2)20-17-11-14(18)6-9-16(17)19/h4-9,11-12,20H,3,10H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline?
2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline has a molecular weight of 324.25 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43108494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).