3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol

C19H25FN2O — CID 84753512

IUPAC3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
SMILESCCN(Cc1ccccc1)c1cc(CNCCCO)ccc1F
InChIInChI=1S/C19H25FN2O/c1-2-22(15-16-7-4-3-5-8-16)19-13-17(9-10-18(19)20)14-21-11-6-12-23/h3-5,7-10,13,21,23H,2,6,11-12,14-15H2,1H3
InChIKeyPMOIEDZNESIRNS-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.32
Rot. Bonds9

About 3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol

3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol (PubChem CID 84753512) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
PubChem CID84753512
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
SMILESCCN(Cc1ccccc1)c1cc(CNCCCO)ccc1F
InChIInChI=1S/C19H25FN2O/c1-2-22(15-16-7-4-3-5-8-16)19-13-17(9-10-18(19)20)14-21-11-6-12-23/h3-5,7-10,13,21,23H,2,6,11-12,14-15H2,1H3
InChIKeyPMOIEDZNESIRNS-UHFFFAOYSA-N
XLogP3.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline
CID 84753514
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753642
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid
CID 84753673
N-[[3-(dimethylamino)-4-fluorophenyl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 84753829
N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline
CID 84753702
3-[N-ethyl-5-(ethylaminomethyl)-2-fluoroanilino]propanoic acid
CID 84754002
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine
CID 60705049
N,N-diethyl-3-[(octadecylamino)methyl]aniline
CID 132514065
5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline
CID 84747186

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol?
The IUPAC name of 3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol (CID 84753512) is 3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol is CCN(Cc1ccccc1)c1cc(CNCCCO)ccc1F.
What is the InChIKey of 3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol?
The InChIKey is PMOIEDZNESIRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-2-22(15-16-7-4-3-5-8-16)19-13-17(9-10-18(19)20)14-21-11-6-12-23/h3-5,7-10,13,21,23H,2,6,11-12,14-15H2,1H3.
What are the key properties of 3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol?
3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol has a molecular weight of 316.42 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol is sourced from PubChem (CID 84753512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).