2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol

C13H19ClFNO — CID 81460938

IUPAC2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol
SMILESCC(C)CC(CN)C(O)c1cccc(F)c1Cl
InChIInChI=1S/C13H19ClFNO/c1-8(2)6-9(7-16)13(17)10-4-3-5-11(15)12(10)14/h3-5,8-9,13,17H,6-7,16H2,1-2H3
InChIKeyYUAXOBHKZLYRJS-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.13
Rot. Bonds5

About 2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol

2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol (PubChem CID 81460938) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol
PubChem CID81460938
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol
SMILESCC(C)CC(CN)C(O)c1cccc(F)c1Cl
InChIInChI=1S/C13H19ClFNO/c1-8(2)6-9(7-16)13(17)10-4-3-5-11(15)12(10)14/h3-5,8-9,13,17H,6-7,16H2,1-2H3
InChIKeyYUAXOBHKZLYRJS-UHFFFAOYSA-N
XLogP3.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol
CID 65187721
(1S)-1-(2-chloro-3-fluorophenyl)-3-methylbutan-1-amine
CID 131303986
2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol
CID 130804035
2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol
CID 65188119
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
(1S)-1-(2-chloro-3-fluorophenyl)propane-1,3-diamine
CID 171222588
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
CID 83925233
3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823546
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)propan-1-ol
CID 65186723
2-(2-fluorophenyl)-4-methylpentan-1-amine
CID 79001901
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide
CID 81461199
1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 83700875

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol (CID 81460938) is 2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol is CC(C)CC(CN)C(O)c1cccc(F)c1Cl.
What is the InChIKey of 2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol?
The InChIKey is YUAXOBHKZLYRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-8(2)6-9(7-16)13(17)10-4-3-5-11(15)12(10)14/h3-5,8-9,13,17H,6-7,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol?
2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol has a molecular weight of 259.75 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 81460938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).