(1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine

C18H22FNO — CID 29037552

IUPAC(1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc([C@@H](C)NCc2ccccc2)cc1F
InChIInChI=1S/C18H22FNO/c1-13(2)21-18-10-9-16(11-17(18)19)14(3)20-12-15-7-5-4-6-8-15/h4-11,13-14,20H,12H2,1-3H3/t14-/m1/s1
InChIKeyHVCMUPFZDVHEDA-CQSZACIVSA-N
MW287.38 g/mol
LogP4.46
Rot. Bonds6

About (1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine

(1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine (PubChem CID 29037552) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is (1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine
PubChem CID29037552
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name(1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc([C@@H](C)NCc2ccccc2)cc1F
InChIInChI=1S/C18H22FNO/c1-13(2)21-18-10-9-16(11-17(18)19)14(3)20-12-15-7-5-4-6-8-15/h4-11,13-14,20H,12H2,1-3H3/t14-/m1/s1
InChIKeyHVCMUPFZDVHEDA-CQSZACIVSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
1-N-benzyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63591848
1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine
CID 43178590
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol
CID 113389475
[(benzylamino)-(3-fluoro-4-methoxyphenyl)methyl]phosphonic acid
CID 42950558
1-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976045

Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of (1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine (CID 29037552) is (1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc([C@@H](C)NCc2ccccc2)cc1F.
What is the InChIKey of (1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is HVCMUPFZDVHEDA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13(2)21-18-10-9-16(11-17(18)19)14(3)20-12-15-7-5-4-6-8-15/h4-11,13-14,20H,12H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine?
(1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 29037552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).