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

C20H24FNO — CID 46956014

IUPAC(3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
SMILESCC(C)c1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO/c1-14(2)16-5-3-15(4-6-16)11-22-20-13-23-12-19(20)17-7-9-18(21)10-8-17/h3-10,14,19-20,22H,11-13H2,1-2H3/t19-,20+/m0/s1
InChIKeyKAKIUANEYZFNNT-VQTJNVASSA-N
MW313.42 g/mol
LogP4.22
Rot. Bonds5

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

(3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine (PubChem CID 46956014) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is (3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
PubChem CID46956014
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name(3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
SMILESCC(C)c1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO/c1-14(2)16-5-3-15(4-6-16)11-22-20-13-23-12-19(20)17-7-9-18(21)10-8-17/h3-10,14,19-20,22H,11-13H2,1-2H3/t19-,20+/m0/s1
InChIKeyKAKIUANEYZFNNT-VQTJNVASSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Benzhydryl-tetrahydro-pyran-3-yl)-(4-fluoro-benzyl)-amine
CID 44287455
(3S,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane
CID 71456210
(3R,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine
CID 73053891
(3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine
CID 73057693
(3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine
CID 73057974
3-(4-Fluorophenyl)morpholine
CID 3831072
3-(3,4-Difluorophenyl)morpholine
CID 18623219
[1-(4-Fluorophenyl)-2-methoxyethyl](methyl)amine
CID 61553432
(3S)-3-(4-(trifluoromethyl)phenyl)morpholine
CID 95757165
4-(4-fluorophenyl)-N-(2-propan-2-yloxyethyl)oxan-4-amine
CID 53621829
N-benzyl-4-(4-fluorophenyl)oxan-4-amine
CID 72020763
(3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine
CID 92558690

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine?
The IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine (CID 46956014) is (3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine?
The canonical SMILES for (3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine is CC(C)c1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine?
The InChIKey is KAKIUANEYZFNNT-VQTJNVASSA-N. The full InChI is InChI=1S/C20H24FNO/c1-14(2)16-5-3-15(4-6-16)11-22-20-13-23-12-19(20)17-7-9-18(21)10-8-17/h3-10,14,19-20,22H,11-13H2,1-2H3/t19-,20+/m0/s1.
What are the key properties of (3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine?
(3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine has a molecular weight of 313.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 46956014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).