1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine

C17H19ClFNO — CID 81388525

IUPAC1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccccc1[C@H](C)NC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-11(13-8-9-16(19)15(18)10-13)20-12(2)14-6-4-5-7-17(14)21-3/h4-12,20H,1-3H3/t11?,12-/m0/s1
InChIKeyNWYXQTLRQUCIKH-KIYNQFGBSA-N
MW307.80 g/mol
LogP4.90
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine

1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine (PubChem CID 81388525) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
PubChem CID81388525
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccccc1[C@H](C)NC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-11(13-8-9-16(19)15(18)10-13)20-12(2)14-6-4-5-7-17(14)21-3/h4-12,20H,1-3H3/t11?,12-/m0/s1
InChIKeyNWYXQTLRQUCIKH-KIYNQFGBSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81388533
1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540
1-(4-fluoro-3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 83059000
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
1-(3-bromo-4-methoxyphenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]ethanamine
CID 81374017

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine (CID 81388525) is 1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine is COc1ccccc1[C@H](C)NC(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine?
The InChIKey is NWYXQTLRQUCIKH-KIYNQFGBSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-11(13-8-9-16(19)15(18)10-13)20-12(2)14-6-4-5-7-17(14)21-3/h4-12,20H,1-3H3/t11?,12-/m0/s1.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine?
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine has a molecular weight of 307.80 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 81388525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).