[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol

C11H16FNO — CID 43271461

IUPAC[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
SMILESCCCN(C)c1ccc(CO)cc1F
InChIInChI=1S/C11H16FNO/c1-3-6-13(2)11-5-4-9(8-14)7-10(11)12/h4-5,7,14H,3,6,8H2,1-2H3
InChIKeyYEYFIGHAYHUUBJ-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.16
Rot. Bonds4

About [3-fluoro-4-[methyl(propyl)amino]phenyl]methanol

[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol (PubChem CID 43271461) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is [3-fluoro-4-[methyl(propyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
PubChem CID43271461
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
SMILESCCCN(C)c1ccc(CO)cc1F
InChIInChI=1S/C11H16FNO/c1-3-6-13(2)11-5-4-9(8-14)7-10(11)12/h4-5,7,14H,3,6,8H2,1-2H3
InChIKeyYEYFIGHAYHUUBJ-UHFFFAOYSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491
2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol
CID 60981186
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
CID 60960608
N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide
CID 54980999
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383
4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline
CID 28965098
tert-butyl N-[2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]ethyl]-N-methylcarbamate
CID 164550044
[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61417217
5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane
CID 142359986
[4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61442535
2-fluoro-N-methyl-N-propylaniline
CID 67818828

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[methyl(propyl)amino]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[methyl(propyl)amino]phenyl]methanol (CID 43271461) is [3-fluoro-4-[methyl(propyl)amino]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[methyl(propyl)amino]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[methyl(propyl)amino]phenyl]methanol is CCCN(C)c1ccc(CO)cc1F.
What is the InChIKey of [3-fluoro-4-[methyl(propyl)amino]phenyl]methanol?
The InChIKey is YEYFIGHAYHUUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-6-13(2)11-5-4-9(8-14)7-10(11)12/h4-5,7,14H,3,6,8H2,1-2H3.
What are the key properties of [3-fluoro-4-[methyl(propyl)amino]phenyl]methanol?
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol has a molecular weight of 197.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[methyl(propyl)amino]phenyl]methanol is sourced from PubChem (CID 43271461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).