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

C15H16FNO — CID 43190042

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccccc2)cc1F
InChIInChI=1S/C15H16FNO/c1-11(17-13-6-4-3-5-7-13)12-8-9-15(18-2)14(16)10-12/h3-11,17H,1-2H3
InChIKeyBCQRTUXWGZFQJK-UHFFFAOYSA-N
MW245.30 g/mol
LogP4.01
Rot. Bonds4

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

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline (PubChem CID 43190042) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
PubChem CID43190042
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccccc2)cc1F
InChIInChI=1S/C15H16FNO/c1-11(17-13-6-4-3-5-7-13)12-8-9-15(18-2)14(16)10-12/h3-11,17H,1-2H3
InChIKeyBCQRTUXWGZFQJK-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]benzoic acid
CID 43139175
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
CID 43756086
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol
CID 107678944
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
CID 43514886
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
CID 43724000
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
4-bromo-2,6-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 65469450
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
CID 43194273
2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 107597790
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline
CID 43687355

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline (CID 43190042) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline is COc1ccc(C(C)Nc2ccccc2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline?
The InChIKey is BCQRTUXWGZFQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11(17-13-6-4-3-5-7-13)12-8-9-15(18-2)14(16)10-12/h3-11,17H,1-2H3.
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline has a molecular weight of 245.30 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43190042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).