1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine

C18H20FNO — CID 43196282

IUPAC1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine
SMILESFc1ccc(C(NCC2CCCO2)c2ccccc2)cc1
InChIInChI=1S/C18H20FNO/c19-16-10-8-15(9-11-16)18(14-5-2-1-3-6-14)20-13-17-7-4-12-21-17/h1-3,5-6,8-11,17-18,20H,4,7,12-13H2
InChIKeyDHPQGXWEURDWDT-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.68
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine

1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine (PubChem CID 43196282) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine
PubChem CID43196282
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine
SMILESFc1ccc(C(NCC2CCCO2)c2ccccc2)cc1
InChIInChI=1S/C18H20FNO/c19-16-10-8-15(9-11-16)18(14-5-2-1-3-6-14)20-13-17-7-4-12-21-17/h1-3,5-6,8-11,17-18,20H,4,7,12-13H2
InChIKeyDHPQGXWEURDWDT-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 60697164
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779
4-(4-fluorophenyl)-4-hydroxy-3-(oxolan-2-ylmethylamino)butanoic acid
CID 82347965
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049
N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine
CID 100620908
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
1-[(S)-(4-methylphenyl)-phenylmethyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8696676

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine (CID 43196282) is 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine is Fc1ccc(C(NCC2CCCO2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine?
The InChIKey is DHPQGXWEURDWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c19-16-10-8-15(9-11-16)18(14-5-2-1-3-6-14)20-13-17-7-4-12-21-17/h1-3,5-6,8-11,17-18,20H,4,7,12-13H2.
What are the key properties of 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine?
1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 43196282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).