N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine

C12H17ClFNO — CID 115696018

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNCc1cccc(Cl)c1F
InChIInChI=1S/C12H17ClFNO/c1-3-16-9(2)7-15-8-10-5-4-6-11(13)12(10)14/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyZIMLNDTYCNKROL-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.99
Rot. Bonds6

About N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine

N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine (PubChem CID 115696018) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine
PubChem CID115696018
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNCc1cccc(Cl)c1F
InChIInChI=1S/C12H17ClFNO/c1-3-16-9(2)7-15-8-10-5-4-6-11(13)12(10)14/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyZIMLNDTYCNKROL-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 115695888
3-[(2-ethoxypropylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117428
N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine
CID 115695890
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
CID 115655473
2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid
CID 113477259
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
CID 115655699
N-[(3-chloro-2-fluorophenyl)methyl]prop-2-yn-1-amine
CID 115695732
N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115655535
2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
CID 115655729
3-chloro-4-[(2-ethoxypropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667458
3-butoxy-N-[(3-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 115695701
N-[[1-[(3-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 102861828

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine (CID 115696018) is N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine is CCOC(C)CNCc1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine?
The InChIKey is ZIMLNDTYCNKROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-3-16-9(2)7-15-8-10-5-4-6-11(13)12(10)14/h4-6,9,15H,3,7-8H2,1-2H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine?
N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine has a molecular weight of 245.72 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine is sourced from PubChem (CID 115696018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).