1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine

C16H25ClFNO — CID 102866601

IUPAC1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1F)CC(C)COC
InChIInChI=1S/C16H25ClFNO/c1-4-8-19-14(9-12(2)11-20-3)10-13-6-5-7-15(17)16(13)18/h5-7,12,14,19H,4,8-11H2,1-3H3
InChIKeyUCQRSEDJFARXHX-UHFFFAOYSA-N
MW301.83 g/mol
LogP4.06
Rot. Bonds9

About 1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine

1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 102866601) has the molecular formula C16H25ClFNO and a molecular weight of 301.83 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID102866601
Molecular FormulaC16H25ClFNO
Molecular Weight301.83 g/mol
Exact Mass301.16
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1F)CC(C)COC
InChIInChI=1S/C16H25ClFNO/c1-4-8-19-14(9-12(2)11-20-3)10-13-6-5-7-15(17)16(13)18/h5-7,12,14,19H,4,8-11H2,1-3H3
InChIKeyUCQRSEDJFARXHX-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 82805882
1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine
CID 82805491
1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105181737
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
CID 107312099
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600
1-(3-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 102857759
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105106068
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
CID 82806801
1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105190411
4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine
CID 112652674

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine (CID 102866601) is 1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1cccc(Cl)c1F)CC(C)COC.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is UCQRSEDJFARXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFNO/c1-4-8-19-14(9-12(2)11-20-3)10-13-6-5-7-15(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-methoxy-4-methyl-N-propylpentan-2-amine?
1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 301.83 g/mol, XLogP of 4.06, 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-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 102866601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).