N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline

C16H17ClFNO — CID 43761125

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-10-4-7-16(20-3)15(8-10)19-11(2)13-6-5-12(18)9-14(13)17/h4-9,11,19H,1-3H3
InChIKeyNSPYTPMPMVHVKQ-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.97
Rot. Bonds4

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline

N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline (PubChem CID 43761125) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
PubChem CID43761125
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-10-4-7-16(20-3)15(8-10)19-11(2)13-6-5-12(18)9-14(13)17/h4-9,11,19H,1-3H3
InChIKeyNSPYTPMPMVHVKQ-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43545055
2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline
CID 107631161
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
(2-chloro-4-fluorophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 61080374
2-bromo-4-fluoro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772548
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43766019
2,4,5-trichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43759088
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449279

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline (CID 43761125) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline is COc1ccc(C)cc1NC(C)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline?
The InChIKey is NSPYTPMPMVHVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-4-7-16(20-3)15(8-10)19-11(2)13-6-5-12(18)9-14(13)17/h4-9,11,19H,1-3H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline has a molecular weight of 293.77 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 43761125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).