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

C17H27ClFNO — CID 103036015

IUPAC1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)Cc1cccc(Cl)c1F
InChIInChI=1S/C17H27ClFNO/c1-5-11-20-14(9-10-17(2,3)21-4)12-13-7-6-8-15(18)16(13)19/h6-8,14,20H,5,9-12H2,1-4H3
InChIKeyUUZBSLPANAMCKQ-UHFFFAOYSA-N
MW315.86 g/mol
LogP4.59
Rot. Bonds9

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

1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine (PubChem CID 103036015) has the molecular formula C17H27ClFNO and a molecular weight of 315.86 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
PubChem CID103036015
Molecular FormulaC17H27ClFNO
Molecular Weight315.86 g/mol
Exact Mass315.18
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)Cc1cccc(Cl)c1F
InChIInChI=1S/C17H27ClFNO/c1-5-11-20-14(9-10-17(2,3)21-4)12-13-7-6-8-15(18)16(13)19/h6-8,14,20H,5,9-12H2,1-4H3
InChIKeyUUZBSLPANAMCKQ-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.86
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024949
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103024950
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103024951
1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024952
[1-(3-Chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025534
1-(4-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103028731
1-(4-Chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103028732
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028736
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737
1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103029004
1-(2-Chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029297
1-(2-chloro-3-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103029298

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine (CID 103036015) is 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)OC)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
The InChIKey is UUZBSLPANAMCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClFNO/c1-5-11-20-14(9-10-17(2,3)21-4)12-13-7-6-8-15(18)16(13)19/h6-8,14,20H,5,9-12H2,1-4H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine has a molecular weight of 315.86 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 103036015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).