N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine

C16H23ClFNO — CID 102619921

IUPACN-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2cc(F)ccc2Cl)CCOC1
InChIInChI=1S/C16H23ClFNO/c1-12(2)9-19-10-16(5-6-20-11-16)8-13-7-14(18)3-4-15(13)17/h3-4,7,12,19H,5-6,8-11H2,1-2H3
InChIKeyTWAGJZVHIJXBEW-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.67
Rot. Bonds6

About N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 102619921) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID102619921
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC NameN-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2cc(F)ccc2Cl)CCOC1
InChIInChI=1S/C16H23ClFNO/c1-12(2)9-19-10-16(5-6-20-11-16)8-13-7-14(18)3-4-15(13)17/h3-4,7,12,19H,5-6,8-11H2,1-2H3
InChIKeyTWAGJZVHIJXBEW-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 105374959
N-[[1-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63507856
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 105374955
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
CID 62260426
N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 63736757
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026264
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
CID 102621650
4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine
CID 102617544
1-(2-chloro-5-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 102615943
N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine
CID 114348893
3-(chloromethyl)-3-[(2,5-difluorophenyl)methyl]oxolane
CID 66034129
N-[[4-[(2,6-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 114933661

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 102619921) is N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Cc2cc(F)ccc2Cl)CCOC1.
What is the InChIKey of N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is TWAGJZVHIJXBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-12(2)9-19-10-16(5-6-20-11-16)8-13-7-14(18)3-4-15(13)17/h3-4,7,12,19H,5-6,8-11H2,1-2H3.
What are the key properties of N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 299.82 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 102619921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).