N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine

C12H17ClFNO — CID 43758401

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFNO/c1-8(7-16-3)15-9(2)11-5-4-10(14)6-12(11)13/h4-6,8-9,15H,7H2,1-3H3
InChIKeyDDRBPAQWCWBIED-UHFFFAOYSA-N
MW245.72 g/mol
LogP3.16
Rot. Bonds5

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine (PubChem CID 43758401) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
PubChem CID43758401
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFNO/c1-8(7-16-3)15-9(2)11-5-4-10(14)6-12(11)13/h4-6,8-9,15H,7H2,1-3H3
InChIKeyDDRBPAQWCWBIED-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191889
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 115704341
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779498
2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
CID 43771126
methyl 2-[1-(2-chloro-4-fluorophenyl)ethylamino]propanoate
CID 60781995
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
(1S)-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367838
methyl (2S)-2-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-methylbutanoate
CID 43776132
3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol
CID 113262026
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43783176
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
CID 114094254

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine (CID 43758401) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine is COCC(C)NC(C)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is DDRBPAQWCWBIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-8(7-16-3)15-9(2)11-5-4-10(14)6-12(11)13/h4-6,8-9,15H,7H2,1-3H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 245.72 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 43758401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).