3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol

C17H19ClFNO — CID 66431963

IUPAC3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol
SMILESCC(O)C(CN)(Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClFNO/c1-12(21)17(11-20,13-6-3-2-4-7-13)10-14-15(18)8-5-9-16(14)19/h2-9,12,21H,10-11,20H2,1H3
InChIKeyANKJJXVCYKBOKK-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.30
Rot. Bonds5

About 3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol

3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol (PubChem CID 66431963) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol
PubChem CID66431963
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol
SMILESCC(O)C(CN)(Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClFNO/c1-12(21)17(11-20,13-6-3-2-4-7-13)10-14-15(18)8-5-9-16(14)19/h2-9,12,21H,10-11,20H2,1H3
InChIKeyANKJJXVCYKBOKK-UHFFFAOYSA-N
XLogP3.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523052
(2S)-2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42329945
1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine
CID 63408457
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075778
2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 106506065
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
2-(4-bromophenyl)-1-(2-chloro-6-fluorophenyl)propan-2-ol
CID 63406670
3-amino-2-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899828
3,3-bis[(2-chloro-6-fluorophenyl)methyl]pentane-2,4-dione
CID 1488014

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol?
The IUPAC name of 3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol (CID 66431963) is 3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol?
The canonical SMILES for 3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol is CC(O)C(CN)(Cc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol?
The InChIKey is ANKJJXVCYKBOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-12(21)17(11-20,13-6-3-2-4-7-13)10-14-15(18)8-5-9-16(14)19/h2-9,12,21H,10-11,20H2,1H3.
What are the key properties of 3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol?
3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol has a molecular weight of 307.80 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol is sourced from PubChem (CID 66431963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).