3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride

C13H19ClF3NO — CID 174355775

IUPAC3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride
SMILESCl.NCC(CCO)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO.ClH/c14-13(15,16)12-3-1-2-10(8-12)4-5-11(9-17)6-7-18;/h1-3,8,11,18H,4-7,9,17H2;1H
InChIKeyNZBJWYLLTZKXNP-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.02
Rot. Bonds6

About 3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride

3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride (PubChem CID 174355775) has the molecular formula C13H19ClF3NO and a molecular weight of 297.75 g/mol. Its IUPAC name is 3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride
PubChem CID174355775
Molecular FormulaC13H19ClF3NO
Molecular Weight297.75 g/mol
Exact Mass297.11
IUPAC Name3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride
SMILESCl.NCC(CCO)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO.ClH/c14-13(15,16)12-3-1-2-10(8-12)4-5-11(9-17)6-7-18;/h1-3,8,11,18H,4-7,9,17H2;1H
InChIKeyNZBJWYLLTZKXNP-UHFFFAOYSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-ethyl-6-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 69267994
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CID 18755618
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
2-[2-[3-amino-5-(trifluoromethyl)-4-[3-[3-(trifluoromethyl)phenyl]propoxy]phenyl]ethyl]propane-1,3-diol
CID 141226108
1-(4-chloro-3-methylbutyl)-3-(trifluoromethyl)benzene
CID 64665255
3-[4-amino-3-(aminomethyl)butyl]phenol
CID 83930255
sodium 1-hydroxy-3-[3-(trifluoromethyl)phenyl]propane-1-sulfonate
CID 134860445
3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170887677
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene
CID 177308905
5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol
CID 112509157
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride?
The IUPAC name of 3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride (CID 174355775) is 3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride is Cl.NCC(CCO)CCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride?
The InChIKey is NZBJWYLLTZKXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO.ClH/c14-13(15,16)12-3-1-2-10(8-12)4-5-11(9-17)6-7-18;/h1-3,8,11,18H,4-7,9,17H2;1H.
What are the key properties of 3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride?
3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride has a molecular weight of 297.75 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride is sourced from PubChem (CID 174355775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).