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1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine

C17H20ClFN2 — CID 114841440

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine
SMILESCN(C)Cc1ccccc1CNCc1ccc(Cl)cc1F
InChIInChI=1S/C17H20ClFN2/c1-21(2)12-15-6-4-3-5-13(15)10-20-11-14-7-8-16(18)9-17(14)19/h3-9,20H,10-12H2,1-2H3
InChIKeyLNIVAZUEULUBLQ-UHFFFAOYSA-N
MW306.81 g/mol
LogP3.83
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine

1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine (PubChem CID 114841440) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine
PubChem CID114841440
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine
SMILESCN(C)Cc1ccccc1CNCc1ccc(Cl)cc1F
InChIInChI=1S/C17H20ClFN2/c1-21(2)12-15-6-4-3-5-13(15)10-20-11-14-7-8-16(18)9-17(14)19/h3-9,20H,10-12H2,1-2H3
InChIKeyLNIVAZUEULUBLQ-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine (CID 114841440) is 1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine is CN(C)Cc1ccccc1CNCc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine?
The InChIKey is LNIVAZUEULUBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-21(2)12-15-6-4-3-5-13(15)10-20-11-14-7-8-16(18)9-17(14)19/h3-9,20H,10-12H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine?
1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine has a molecular weight of 306.81 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine is sourced from PubChem (CID 114841440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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