1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine

C14H20FNO — CID 107129013

IUPAC1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccc(C)c(F)c1)C1(C)CCCO1
InChIInChI=1S/C14H20FNO/c1-10-5-6-11(9-12(10)15)13(16-3)14(2)7-4-8-17-14/h5-6,9,13,16H,4,7-8H2,1-3H3
InChIKeyLDQMNINDBNVYIO-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.96
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine

1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine (PubChem CID 107129013) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
PubChem CID107129013
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccc(C)c(F)c1)C1(C)CCCO1
InChIInChI=1S/C14H20FNO/c1-10-5-6-11(9-12(10)15)13(16-3)14(2)7-4-8-17-14/h5-6,9,13,16H,4,7-8H2,1-3H3
InChIKeyLDQMNINDBNVYIO-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107289167
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 82822643
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
1-[(3-fluoro-4-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107128925
[(3,4-dimethylphenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250890
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 103433754
N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
CID 80683443
[(2-methyloxolan-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105250712
N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine
CID 116544913
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine
CID 107292381
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
[(1-ethoxycyclohexyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130905

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine (CID 107129013) is 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine is CNC(c1ccc(C)c(F)c1)C1(C)CCCO1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The InChIKey is LDQMNINDBNVYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-5-6-11(9-12(10)15)13(16-3)14(2)7-4-8-17-14/h5-6,9,13,16H,4,7-8H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 107129013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).