N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine

C17H26FNO — CID 105374959

IUPACN-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(F)cc1CC1(CNCC(C)C)CCOC1
InChIInChI=1S/C17H26FNO/c1-13(2)10-19-11-17(6-7-20-12-17)9-15-8-16(18)5-4-14(15)3/h4-5,8,13,19H,6-7,9-12H2,1-3H3
InChIKeyNHRVUIXPKSAIEB-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.33
Rot. Bonds6

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

N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 105374959) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID105374959
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(F)cc1CC1(CNCC(C)C)CCOC1
InChIInChI=1S/C17H26FNO/c1-13(2)10-19-11-17(6-7-20-12-17)9-15-8-16(18)5-4-14(15)3/h4-5,8,13,19H,6-7,9-12H2,1-3H3
InChIKeyNHRVUIXPKSAIEB-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 102619921
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 105374955
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 105374964
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 105374968
N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine
CID 114348893
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026917
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
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 105374909
N-[[1-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63507856
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-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 105374959) is N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is Cc1ccc(F)cc1CC1(CNCC(C)C)CCOC1.
What is the InChIKey of N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NHRVUIXPKSAIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-13(2)10-19-11-17(6-7-20-12-17)9-15-8-16(18)5-4-14(15)3/h4-5,8,13,19H,6-7,9-12H2,1-3H3.
What are the key properties of N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105374959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).