(2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine

C14H12ClFIN — CID 114275416

IUPAC(2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2c(F)cccc2Cl)c1I
InChIInChI=1S/C14H12ClFIN/c1-8-4-2-5-9(13(8)17)14(18)12-10(15)6-3-7-11(12)16/h2-7,14H,18H2,1H3
InChIKeyLVXFJFSWPSEWRP-UHFFFAOYSA-N
MW375.61 g/mol
LogP4.44
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine

(2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine (PubChem CID 114275416) has the molecular formula C14H12ClFIN and a molecular weight of 375.61 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine
PubChem CID114275416
Molecular FormulaC14H12ClFIN
Molecular Weight375.61 g/mol
Exact Mass374.97
IUPAC Name(2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2c(F)cccc2Cl)c1I
InChIInChI=1S/C14H12ClFIN/c1-8-4-2-5-9(13(8)17)14(18)12-10(15)6-3-7-11(12)16/h2-7,14H,18H2,1H3
InChIKeyLVXFJFSWPSEWRP-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.61
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-fluorophenyl)-(2-methylphenyl)methanamine
CID 82087273
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626075
(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
1-chloro-2-[2-chloro-2-(2-iodo-3-methylphenyl)ethyl]-3-fluorobenzene
CID 114029596
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435
(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027044
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine
CID 43330575
(3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine
CID 114030256
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
CID 130854028

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine (CID 114275416) is (2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine is Cc1cccc(C(N)c2c(F)cccc2Cl)c1I.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine?
The InChIKey is LVXFJFSWPSEWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFIN/c1-8-4-2-5-9(13(8)17)14(18)12-10(15)6-3-7-11(12)16/h2-7,14H,18H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine?
(2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine has a molecular weight of 375.61 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine is sourced from PubChem (CID 114275416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).