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

C15H15ClFNO — CID 43194744

IUPAC2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccccc2Cl)cc1F
InChIInChI=1S/C15H15ClFNO/c1-10(18-14-6-4-3-5-12(14)16)11-7-8-15(19-2)13(17)9-11/h3-10,18H,1-2H3
InChIKeyLVPKLRRAOXOWLU-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.66
Rot. Bonds4

About 2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline

2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline (PubChem CID 43194744) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
PubChem CID43194744
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccccc2Cl)cc1F
InChIInChI=1S/C15H15ClFNO/c1-10(18-14-6-4-3-5-12(14)16)11-7-8-15(19-2)13(17)9-11/h3-10,18H,1-2H3
InChIKeyLVPKLRRAOXOWLU-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline
CID 43687355
2,4,6-trichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43126432
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360
2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol
CID 107678944
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 83058969
N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43100398
4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline
CID 43195979
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline (CID 43194744) is 2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline is COc1ccc(C(C)Nc2ccccc2Cl)cc1F.
What is the InChIKey of 2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline?
The InChIKey is LVPKLRRAOXOWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(18-14-6-4-3-5-12(14)16)11-7-8-15(19-2)13(17)9-11/h3-10,18H,1-2H3.
What are the key properties of 2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline?
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline has a molecular weight of 279.74 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43194744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).