N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride

C14H13Cl3FN — CID 11948736

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
SMILESCl.Fc1cccc(Cl)c1CNCc1ccccc1Cl
InChIInChI=1S/C14H12Cl2FN.ClH/c15-12-5-2-1-4-10(12)8-18-9-11-13(16)6-3-7-14(11)17;/h1-7,18H,8-9H2;1H
InChIKeyRROZNVGYQMDHDI-UHFFFAOYSA-N
MW320.62 g/mol
LogP4.84
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride

N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride (PubChem CID 11948736) has the molecular formula C14H13Cl3FN and a molecular weight of 320.62 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
PubChem CID11948736
Molecular FormulaC14H13Cl3FN
Molecular Weight320.62 g/mol
Exact Mass319.01
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
SMILESCl.Fc1cccc(Cl)c1CNCc1ccccc1Cl
InChIInChI=1S/C14H12Cl2FN.ClH/c15-12-5-2-1-4-10(12)8-18-9-11-13(16)6-3-7-14(11)17;/h1-7,18H,8-9H2;1H
InChIKeyRROZNVGYQMDHDI-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.62
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Clobenzorex
CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
Benzenemethanamine, 4-chloro-N-methyl-
CID 66905
1,3-Bis[(2-chlorophenyl)methyl]urea
CID 623497
Benzenemethanamine, 3-chloro-N-methyl-
CID 122721
n,n-Bis(2-chloro-6-fluorobenzyl)hydroxylamine
CID 2736012
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)--hydrogen chloride (1/2)
CID 9704
(2-Chloro-3-fluorophenyl)methanamine
CID 50998690
Benzyl[(4-fluorophenyl)methyl]amine
CID 784761
4-Chloro-N-pentylbenzenemethanamine
CID 2466110
Benzenemethanamine, 2-chloro-N-methyl-
CID 66754
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)
CID 9705

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride (CID 11948736) is N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride is Cl.Fc1cccc(Cl)c1CNCc1ccccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride?
The InChIKey is RROZNVGYQMDHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN.ClH/c15-12-5-2-1-4-10(12)8-18-9-11-13(16)6-3-7-14(11)17;/h1-7,18H,8-9H2;1H.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride?
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride has a molecular weight of 320.62 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 11948736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).