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

C16H25ClFNO — CID 103029529

IUPAC1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(F)ccc1Cl)CC(C)(C)OC
InChIInChI=1S/C16H25ClFNO/c1-5-8-19-14(11-16(2,3)20-4)10-12-9-13(18)6-7-15(12)17/h6-7,9,14,19H,5,8,10-11H2,1-4H3
InChIKeyCWUMLOAEYUIPMB-UHFFFAOYSA-N
MW301.83 g/mol
LogP4.20
Rot. Bonds8

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

1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 103029529) has the molecular formula C16H25ClFNO and a molecular weight of 301.83 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID103029529
Molecular FormulaC16H25ClFNO
Molecular Weight301.83 g/mol
Exact Mass301.16
IUPAC Name1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(F)ccc1Cl)CC(C)(C)OC
InChIInChI=1S/C16H25ClFNO/c1-5-8-19-14(11-16(2,3)20-4)10-12-9-13(18)6-7-15(12)17/h6-7,9,14,19H,5,8,10-11H2,1-4H3
InChIKeyCWUMLOAEYUIPMB-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338427
N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338550
N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine
CID 155680929
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-(2,4-difluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103025005
N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 103025037
[1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025206
[1-(2-Chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025467
[1-(2-Chloro-5-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025530

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine (CID 103029529) is 1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1cc(F)ccc1Cl)CC(C)(C)OC.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is CWUMLOAEYUIPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFNO/c1-5-8-19-14(11-16(2,3)20-4)10-12-9-13(18)6-7-15(12)17/h6-7,9,14,19H,5,8,10-11H2,1-4H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 301.83 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 103029529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).