(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine

C18H21ClFN — CID 43107900

IUPAC(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCc1c(C)c(C)c(C(N)c2ccc(Cl)cc2F)c(C)c1C
InChIInChI=1S/C18H21ClFN/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)15-7-6-14(19)8-16(15)20/h6-8,18H,21H2,1-5H3
InChIKeyPDTAZBVRRIVPTB-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.07
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine

(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine (PubChem CID 43107900) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
PubChem CID43107900
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCc1c(C)c(C)c(C(N)c2ccc(Cl)cc2F)c(C)c1C
InChIInChI=1S/C18H21ClFN/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)15-7-6-14(19)8-16(15)20/h6-8,18H,21H2,1-5H3
InChIKeyPDTAZBVRRIVPTB-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.82
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 114886653
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 65279660
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine (CID 43107900) is (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine is Cc1c(C)c(C)c(C(N)c2ccc(Cl)cc2F)c(C)c1C.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
The InChIKey is PDTAZBVRRIVPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)15-7-6-14(19)8-16(15)20/h6-8,18H,21H2,1-5H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine has a molecular weight of 305.82 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine is sourced from PubChem (CID 43107900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).