1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine

C14H19F2NO — CID 82822643

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
SMILESCNC(c1c(F)ccc(C)c1F)C1(C)CCCO1
InChIInChI=1S/C14H19F2NO/c1-9-5-6-10(15)11(12(9)16)13(17-3)14(2)7-4-8-18-14/h5-6,13,17H,4,7-8H2,1-3H3
InChIKeyRNFXYXBZFSVHGB-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.10
Rot. Bonds3

About 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine

1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine (PubChem CID 82822643) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
PubChem CID82822643
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
SMILESCNC(c1c(F)ccc(C)c1F)C1(C)CCCO1
InChIInChI=1S/C14H19F2NO/c1-9-5-6-10(15)11(12(9)16)13(17-3)14(2)7-4-8-18-14/h5-6,13,17H,4,7-8H2,1-3H3
InChIKeyRNFXYXBZFSVHGB-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107129013
(2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol
CID 82822613
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 82803625
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
[(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105250675
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
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107289167
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114730060
[(3,4-dimethylphenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250890
1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 114269056

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine (CID 82822643) is 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine is CNC(c1c(F)ccc(C)c1F)C1(C)CCCO1.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The InChIKey is RNFXYXBZFSVHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9-5-6-10(15)11(12(9)16)13(17-3)14(2)7-4-8-18-14/h5-6,13,17H,4,7-8H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine has a molecular weight of 255.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 82822643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).