(3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine

C18H20FNO2 — CID 46967603

IUPAC(3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine
SMILESCOc1ccccc1CN[C@@H]1COC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-21-18-5-3-2-4-14(18)10-20-17-12-22-11-16(17)13-6-8-15(19)9-7-13/h2-9,16-17,20H,10-12H2,1H3/t16-,17+/m0/s1
InChIKeyYSUXAIHVGROHTO-DLBZAZTESA-N
MW301.36 g/mol
LogP3.11
Rot. Bonds5

About (3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine

(3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine (PubChem CID 46967603) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine
PubChem CID46967603
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine
SMILESCOc1ccccc1CN[C@@H]1COC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-21-18-5-3-2-4-14(18)10-20-17-12-22-11-16(17)13-6-8-15(19)9-7-13/h2-9,16-17,20H,10-12H2,1H3/t16-,17+/m0/s1
InChIKeyYSUXAIHVGROHTO-DLBZAZTESA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine
CID 46956016
(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride
CID 69059511
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 54152550
N-[(2-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711434
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601611
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
(1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide
CID 67089068
N-[(2-methoxyphenyl)methyl]adamantan-2-amine
CID 784414
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine?
The IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine (CID 46967603) is (3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine?
The canonical SMILES for (3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine is COc1ccccc1CN[C@@H]1COC[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine?
The InChIKey is YSUXAIHVGROHTO-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20FNO2/c1-21-18-5-3-2-4-14(18)10-20-17-12-22-11-16(17)13-6-8-15(19)9-7-13/h2-9,16-17,20H,10-12H2,1H3/t16-,17+/m0/s1.
What are the key properties of (3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine?
(3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine has a molecular weight of 301.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 46967603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).