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

C10H13ClFNO — CID 107884589

IUPAC1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H13ClFNO/c1-14-6-8(13)4-7-2-3-9(11)10(12)5-7/h2-3,5,8H,4,6,13H2,1H3
InChIKeyGFHLWYSVMMTNMQ-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.00
Rot. Bonds4

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

1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine (PubChem CID 107884589) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
PubChem CID107884589
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H13ClFNO/c1-14-6-8(13)4-7-2-3-9(11)10(12)5-7/h2-3,5,8H,4,6,13H2,1H3
InChIKeyGFHLWYSVMMTNMQ-UHFFFAOYSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
CID 107884756
1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 107892055
1-(4-chloro-3-fluorophenyl)-3-methoxybutan-2-amine
CID 107884948
methyl (2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 67966222
1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
CID 115347398
1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 107891592
1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616
[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 107895069
2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 11053116
(2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 62717943
2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 107884841
1-(3-chloro-4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 103042919

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine (CID 107884589) is 1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine is COCC(N)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine?
The InChIKey is GFHLWYSVMMTNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-14-6-8(13)4-7-2-3-9(11)10(12)5-7/h2-3,5,8H,4,6,13H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine?
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine has a molecular weight of 217.67 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine is sourced from PubChem (CID 107884589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).