N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine

C16H17ClFNO — CID 60615873

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(CNCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H17ClFNO/c1-2-20-14-5-3-4-12(8-14)10-19-11-13-6-7-16(18)15(17)9-13/h3-9,19H,2,10-11H2,1H3
InChIKeyAXIJEFDRBYEQHW-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.17
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine

N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine (PubChem CID 60615873) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine
PubChem CID60615873
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(CNCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H17ClFNO/c1-2-20-14-5-3-4-12(8-14)10-19-11-13-6-7-16(18)15(17)9-13/h3-9,19H,2,10-11H2,1H3
InChIKeyAXIJEFDRBYEQHW-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-propoxyphenyl)methanamine
CID 62539082
N-[[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 103037800
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 17208568
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol
CID 55087063
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-ethoxyphenyl)methanamine
CID 18437826
5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 79727218
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 66474852
2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline
CID 60873888

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine (CID 60615873) is N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine is CCOc1cccc(CNCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine?
The InChIKey is AXIJEFDRBYEQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-2-20-14-5-3-4-12(8-14)10-19-11-13-6-7-16(18)15(17)9-13/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine?
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine has a molecular weight of 293.77 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine is sourced from PubChem (CID 60615873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).