1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine

C16H25ClFN — CID 82805491

IUPAC1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H25ClFN/c1-4-10-19-14(9-8-12(2)3)11-13-6-5-7-15(17)16(13)18/h5-7,12,14,19H,4,8-11H2,1-3H3
InChIKeyOMHJPDYEGDQGNR-UHFFFAOYSA-N
MW285.83 g/mol
LogP4.83
Rot. Bonds8

About 1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine

1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine (PubChem CID 82805491) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine
PubChem CID82805491
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H25ClFN/c1-4-10-19-14(9-8-12(2)3)11-13-6-5-7-15(17)16(13)18/h5-7,12,14,19H,4,8-11H2,1-3H3
InChIKeyOMHJPDYEGDQGNR-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-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 82805882
1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861
1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 102866601
1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
CID 82806799
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylpentan-1-amine
CID 102858667
1-(3-chloro-2-fluorophenyl)-N-methylundecan-2-amine
CID 82789169
1-(3-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 102857759
N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
CID 106693463
1-(3-chloro-2-fluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 102857999
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine (CID 82805491) is 1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine is CCCNC(CCC(C)C)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine?
The InChIKey is OMHJPDYEGDQGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-4-10-19-14(9-8-12(2)3)11-13-6-5-7-15(17)16(13)18/h5-7,12,14,19H,4,8-11H2,1-3H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine?
1-(3-chloro-2-fluorophenyl)-5-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-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 82805491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).