N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine

C18H21F2N — CID 82797902

IUPACN-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)c1c(F)ccc(C)c1F
InChIInChI=1S/C18H21F2N/c1-4-11-21-18(14-8-5-12(2)6-9-14)16-15(19)10-7-13(3)17(16)20/h5-10,18,21H,4,11H2,1-3H3
InChIKeyJGMQXKZGXFLCRR-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.67
Rot. Bonds5

About N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine

N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine (PubChem CID 82797902) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
PubChem CID82797902
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)c1c(F)ccc(C)c1F
InChIInChI=1S/C18H21F2N/c1-4-11-21-18(14-8-5-12(2)6-9-14)16-15(19)10-7-13(3)17(16)20/h5-10,18,21H,4,11H2,1-3H3
InChIKeyJGMQXKZGXFLCRR-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854881
N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023117
N-[(2,6-difluoro-3-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 105027074
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
N-[(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 82815308
N-[(5-bromo-3-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 82802947
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
N-[(2,6-difluoro-3-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796796
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548
N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 82822617
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365
N-[(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878610

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine (CID 82797902) is N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1)c1c(F)ccc(C)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine?
The InChIKey is JGMQXKZGXFLCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-11-21-18(14-8-5-12(2)6-9-14)16-15(19)10-7-13(3)17(16)20/h5-10,18,21H,4,11H2,1-3H3.
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine?
N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 82797902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).