1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine

C12H17ClFNO — CID 107884756

IUPAC1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
SMILESCOCCCC(N)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFNO/c1-16-6-2-3-10(15)7-9-4-5-11(13)12(14)8-9/h4-5,8,10H,2-3,6-7,15H2,1H3
InChIKeyABLWSOLMPAFWBR-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.78
Rot. Bonds6

About 1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine

1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine (PubChem CID 107884756) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
PubChem CID107884756
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
SMILESCOCCCC(N)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFNO/c1-16-6-2-3-10(15)7-9-4-5-11(13)12(14)8-9/h4-5,8,10H,2-3,6-7,15H2,1H3
InChIKeyABLWSOLMPAFWBR-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 107895069
1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 107892055
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
CID 65092625
1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 114012678
1-(4-chloro-3-fluorophenyl)-3-methoxybutan-2-amine
CID 107884948
5-methoxy-1-phenylpentan-2-amine
CID 62608693
1-(4-chloro-3-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 107892082
1-(2,5-difluorophenyl)-5-methoxypentan-2-amine
CID 65092447
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine (CID 107884756) is 1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine is COCCCC(N)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine?
The InChIKey is ABLWSOLMPAFWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-16-6-2-3-10(15)7-9-4-5-11(13)12(14)8-9/h4-5,8,10H,2-3,6-7,15H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine?
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine has a molecular weight of 245.72 g/mol, XLogP of 2.78, 6 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)-5-methoxypentan-2-amine is sourced from PubChem (CID 107884756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).