(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine

C17H19F2NO — CID 79737100

IUPAC(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCc1cc(C(N)c2cccc(OC(C)C)c2)c(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-10(2)21-13-6-4-5-12(8-13)17(20)14-7-11(3)15(18)9-16(14)19/h4-10,17H,20H2,1-3H3
InChIKeyRIHLDVRVCDVHLW-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.11
Rot. Bonds4

About (2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine

(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 79737100) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID79737100
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCc1cc(C(N)c2cccc(OC(C)C)c2)c(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-10(2)21-13-6-4-5-12(8-13)17(20)14-7-11(3)15(18)9-16(14)19/h4-10,17H,20H2,1-3H3
InChIKeyRIHLDVRVCDVHLW-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105398664
(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 115850319
(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931
(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79747415
1-[bromo-(3-propan-2-yloxyphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304174
(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019095
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
[(3-fluoro-4-methylphenyl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105201578
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
CID 115852067
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561286

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine (CID 79737100) is (2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine is Cc1cc(C(N)c2cccc(OC(C)C)c2)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is RIHLDVRVCDVHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-10(2)21-13-6-4-5-12(8-13)17(20)14-7-11(3)15(18)9-16(14)19/h4-10,17H,20H2,1-3H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine?
(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 291.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 79737100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).