4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine

C14H21ClFNO — CID 55145226

IUPAC4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine
SMILESCCCCOCCC(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFNO/c1-2-3-8-18-9-7-11(17)10-12-13(15)5-4-6-14(12)16/h4-6,11H,2-3,7-10,17H2,1H3
InChIKeyKTZHLOABXHZHTO-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.56
Rot. Bonds8

About 4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine

4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine (PubChem CID 55145226) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine
PubChem CID55145226
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine
SMILESCCCCOCCC(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFNO/c1-2-3-8-18-9-7-11(17)10-12-13(15)5-4-6-14(12)16/h4-6,11H,2-3,7-10,17H2,1H3
InChIKeyKTZHLOABXHZHTO-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.56
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-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid
CID 62962230
6-(2-chloro-6-fluorophenyl)hexan-3-amine
CID 64503216
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
1-(3-bromo-2,6-difluorophenyl)-4-propoxybutan-2-amine
CID 106274256
1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 83153746
[1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151588
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987218

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine?
The IUPAC name of 4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine (CID 55145226) is 4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine.
What is the SMILES notation for 4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine?
The canonical SMILES for 4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine is CCCCOCCC(N)Cc1c(F)cccc1Cl.
What is the InChIKey of 4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine?
The InChIKey is KTZHLOABXHZHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-2-3-8-18-9-7-11(17)10-12-13(15)5-4-6-14(12)16/h4-6,11H,2-3,7-10,17H2,1H3.
What are the key properties of 4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine?
4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine has a molecular weight of 273.78 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine is sourced from PubChem (CID 55145226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).