1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine

C14H20FNO — CID 114347642

IUPAC1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
SMILESCc1cc(F)ccc1CC(N)CC1CCCO1
InChIInChI=1S/C14H20FNO/c1-10-7-12(15)5-4-11(10)8-13(16)9-14-3-2-6-17-14/h4-5,7,13-14H,2-3,6,8-9,16H2,1H3
InChIKeyPCEWUIINXNQDIO-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine

1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine (PubChem CID 114347642) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
PubChem CID114347642
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
SMILESCc1cc(F)ccc1CC(N)CC1CCCO1
InChIInChI=1S/C14H20FNO/c1-10-7-12(15)5-4-11(10)8-13(16)9-14-3-2-6-17-14/h4-5,7,13-14H,2-3,6,8-9,16H2,1H3
InChIKeyPCEWUIINXNQDIO-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 62600088
1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine
CID 106866342
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 62607059
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
4-fluoro-2-(oxolan-2-ylmethyl)aniline
CID 105449109
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine (CID 114347642) is 1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine is Cc1cc(F)ccc1CC(N)CC1CCCO1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is PCEWUIINXNQDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-7-12(15)5-4-11(10)8-13(16)9-14-3-2-6-17-14/h4-5,7,13-14H,2-3,6,8-9,16H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine?
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 237.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 114347642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).