(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine

C18H22FNO — CID 81382610

IUPAC(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NC(C)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H22FNO/c1-12-8-9-16(11-18(12)19)14(3)20-13(2)15-6-5-7-17(10-15)21-4/h5-11,13-14,20H,1-4H3/t13-,14?/m1/s1
InChIKeyUYWUNEWQPZIPND-KWCCSABGSA-N
MW287.38 g/mol
LogP4.55
Rot. Bonds5

About (1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine

(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 81382610) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is (1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID81382610
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NC(C)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H22FNO/c1-12-8-9-16(11-18(12)19)14(3)20-13(2)15-6-5-7-17(10-15)21-4/h5-11,13-14,20H,1-4H3/t13-,14?/m1/s1
InChIKeyUYWUNEWQPZIPND-KWCCSABGSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 60944542
(3-fluoro-4-methylphenyl)-(3-methoxyphenyl)methanamine
CID 60819510
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81354278
1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81374819
(1R)-1-(3-methoxyphenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81376128
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81354846
2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline
CID 82818464
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine (CID 81382610) is (1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@@H](C)NC(C)c2ccc(C)c(F)c2)c1.
What is the InChIKey of (1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is UYWUNEWQPZIPND-KWCCSABGSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-8-9-16(11-18(12)19)14(3)20-13(2)15-6-5-7-17(10-15)21-4/h5-11,13-14,20H,1-4H3/t13-,14?/m1/s1.
What are the key properties of (1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81382610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).