(4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine

C14H10F5NO — CID 43607953

IUPAC(4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCOc1ccc(C(N)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H10F5NO/c1-21-7-4-2-6(3-5-7)14(20)8-9(15)11(17)13(19)12(18)10(8)16/h2-5,14H,20H2,1H3
InChIKeyKRCHQXQFSHWQIV-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.44
Rot. Bonds3

About (4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine

(4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine (PubChem CID 43607953) has the molecular formula C14H10F5NO and a molecular weight of 303.23 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
PubChem CID43607953
Molecular FormulaC14H10F5NO
Molecular Weight303.23 g/mol
Exact Mass303.07
IUPAC Name(4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCOc1ccc(C(N)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H10F5NO/c1-21-7-4-2-6(3-5-7)14(20)8-9(15)11(17)13(19)12(18)10(8)16/h2-5,14H,20H2,1H3
InChIKeyKRCHQXQFSHWQIV-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine
CID 106942165
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
(2-methoxy-4,6-dimethylphenyl)-(4-methoxyphenyl)methanamine
CID 106680347
(3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine
CID 78018909
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
(R)-(2,3,5,6-tetrafluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171249914
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
The IUPAC name of (4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine (CID 43607953) is (4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine.
What is the SMILES notation for (4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
The canonical SMILES for (4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine is COc1ccc(C(N)c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
The InChIKey is KRCHQXQFSHWQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO/c1-21-7-4-2-6(3-5-7)14(20)8-9(15)11(17)13(19)12(18)10(8)16/h2-5,14H,20H2,1H3.
What are the key properties of (4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
(4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine has a molecular weight of 303.23 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine is sourced from PubChem (CID 43607953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).