1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol

C14H23FN2O — CID 111440118

IUPAC1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol
SMILESCCN(CC)c1ccc(CNCC(C)O)cc1F
InChIInChI=1S/C14H23FN2O/c1-4-17(5-2)14-7-6-12(8-13(14)15)10-16-9-11(3)18/h6-8,11,16,18H,4-5,9-10H2,1-3H3
InChIKeyDVKZZPRZONDPKN-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.14
Rot. Bonds7

About 1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol

1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol (PubChem CID 111440118) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol
PubChem CID111440118
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol
SMILESCCN(CC)c1ccc(CNCC(C)O)cc1F
InChIInChI=1S/C14H23FN2O/c1-4-17(5-2)14-7-6-12(8-13(14)15)10-16-9-11(3)18/h6-8,11,16,18H,4-5,9-10H2,1-3H3
InChIKeyDVKZZPRZONDPKN-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
CID 43281990
N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
CID 79480652
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
1-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-methyl-3-propan-2-ylguanidine
CID 111833103
1-butan-2-yl-3-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-methylguanidine;hydroiodide
CID 111545002
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 60980506
N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63550802
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide
CID 56803786
3-[[4-(diethylamino)-3-fluorophenyl]methylamino]-3-methylbutan-1-ol
CID 111469072

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol?
The IUPAC name of 1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol (CID 111440118) is 1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol is CCN(CC)c1ccc(CNCC(C)O)cc1F.
What is the InChIKey of 1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol?
The InChIKey is DVKZZPRZONDPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-17(5-2)14-7-6-12(8-13(14)15)10-16-9-11(3)18/h6-8,11,16,18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol?
1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol has a molecular weight of 254.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol is sourced from PubChem (CID 111440118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).