(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

C18H19F2N — CID 107126557

IUPAC(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1cc(C(N)C2CCc3ccccc3C2)c(F)cc1F
InChIInChI=1S/C18H19F2N/c1-11-8-15(17(20)10-16(11)19)18(21)14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,10,14,18H,6-7,9,21H2,1H3
InChIKeySEWDCVUXORVXTC-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.08
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 107126557) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
PubChem CID107126557
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1cc(C(N)C2CCc3ccccc3C2)c(F)cc1F
InChIInChI=1S/C18H19F2N/c1-11-8-15(17(20)10-16(11)19)18(21)14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,10,14,18H,6-7,9,21H2,1H3
InChIKeySEWDCVUXORVXTC-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79743119
(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126582
1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine
CID 107126496
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 102832882
(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126530
(2,5-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410116
2,3-dihydro-1H-inden-2-yl-(2-fluorophenyl)methanamine
CID 65409529
(5-methylfuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126532
2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
CID 65411297
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107128830
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892808

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (CID 107126557) is (2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is Cc1cc(C(N)C2CCc3ccccc3C2)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is SEWDCVUXORVXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-11-8-15(17(20)10-16(11)19)18(21)14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,10,14,18H,6-7,9,21H2,1H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 287.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 107126557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).