N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine

C12H16FNO — CID 3156807

IUPACN-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESFc1ccc(CNCC2CCCO2)cc1
InChIInChI=1S/C12H16FNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2
InChIKeySLYWRVMUMWKSOX-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.09
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 3156807) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID3156807
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESFc1ccc(CNCC2CCCO2)cc1
InChIInChI=1S/C12H16FNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2
InChIKeySLYWRVMUMWKSOX-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2396989
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(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746777
(4-Chloro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746853
N-(3-bromobenzyl)-N-(tetrahydro-2-furanylmethyl)amine
CID 2960074
2-Furanmethanamine, N-ethyltetrahydro-alpha-(phenylmethyl)-, (R-(R*,R*))-
CID 71129
N-[(2-Fluorophenyl)methyl]-4-morpholineethanamine
CID 2772118
(4-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746785
(2-Chloro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746786
(2-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746787
N-(2,6-difluorobenzyl)-1-methoxypropan-2-amine
CID 2851055

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 3156807) is N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine is Fc1ccc(CNCC2CCCO2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is SLYWRVMUMWKSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 209.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 3156807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).