1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine

C16H25ClFN — CID 63419898

IUPAC1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)CC(C)CC
InChIInChI=1S/C16H25ClFN/c1-4-9-19-13(10-12(3)5-2)11-14-15(17)7-6-8-16(14)18/h6-8,12-13,19H,4-5,9-11H2,1-3H3
InChIKeyPOYQRHJWOLFQNK-UHFFFAOYSA-N
MW285.83 g/mol
LogP4.83
Rot. Bonds8

About 1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine

1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine (PubChem CID 63419898) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
PubChem CID63419898
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)CC(C)CC
InChIInChI=1S/C16H25ClFN/c1-4-9-19-13(10-12(3)5-2)11-14-15(17)7-6-8-16(14)18/h6-8,12-13,19H,4-5,9-11H2,1-3H3
InChIKeyPOYQRHJWOLFQNK-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131448
1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63022141
1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
CID 63412621
1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61495709
1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
CID 107312099
1-(3-bromo-2,6-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 106274055
[1-(2-chloro-6-fluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105215968
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105106068
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556904
1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 114875109

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine (CID 63419898) is 1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine is CCCNC(Cc1c(F)cccc1Cl)CC(C)CC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine?
The InChIKey is POYQRHJWOLFQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-4-9-19-13(10-12(3)5-2)11-14-15(17)7-6-8-16(14)18/h6-8,12-13,19H,4-5,9-11H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine?
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine has a molecular weight of 285.83 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 63419898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).