1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine

C12H17ClFNO — CID 114855390

IUPAC1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)Cc1ccc(Cl)cc1F
InChIInChI=1S/C12H17ClFNO/c1-3-15-11(8-16-2)6-9-4-5-10(13)7-12(9)14/h4-5,7,11,15H,3,6,8H2,1-2H3
InChIKeyKXOMTDONKDORNU-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.65
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine

1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine (PubChem CID 114855390) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine
PubChem CID114855390
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)Cc1ccc(Cl)cc1F
InChIInChI=1S/C12H17ClFNO/c1-3-15-11(8-16-2)6-9-4-5-10(13)7-12(9)14/h4-5,7,11,15H,3,6,8H2,1-2H3
InChIKeyKXOMTDONKDORNU-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105190411
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 114855538
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 64559477
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105190483
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 114855165
[1-(4-chloro-2-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929991
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine (CID 114855390) is 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is KXOMTDONKDORNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-3-15-11(8-16-2)6-9-4-5-10(13)7-12(9)14/h4-5,7,11,15H,3,6,8H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine?
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 245.72 g/mol, XLogP of 2.65, 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-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 114855390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).