2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol

C17H19ClFNO — CID 106506065

IUPAC2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(CN)(CO)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFNO/c1-12-5-2-3-6-14(12)17(10-20,11-21)9-13-15(18)7-4-8-16(13)19/h2-8,21H,9-11,20H2,1H3
InChIKeyNWOGLBZFLVZVMX-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.22
Rot. Bonds5

About 2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol

2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol (PubChem CID 106506065) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
PubChem CID106506065
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(CN)(CO)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFNO/c1-12-5-2-3-6-14(12)17(10-20,11-21)9-13-15(18)7-4-8-16(13)19/h2-8,21H,9-11,20H2,1H3
InChIKeyNWOGLBZFLVZVMX-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507202
2-(aminomethyl)-3-(2-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507262
2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523052
2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 106506068
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507193
3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol
CID 66431963
(2S)-2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42329945
2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450494
3,3-bis[(2-chloro-6-fluorophenyl)methyl]pentane-2,4-dione
CID 1488014
2-[(2-chloro-6-fluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 79450730
1-(2,6-difluorophenyl)-2-(2-methylphenyl)propan-2-amine
CID 114931214

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol (CID 106506065) is 2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(CN)(CO)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol?
The InChIKey is NWOGLBZFLVZVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-12-5-2-3-6-14(12)17(10-20,11-21)9-13-15(18)7-4-8-16(13)19/h2-8,21H,9-11,20H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol?
2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol has a molecular weight of 307.80 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 106506065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).