3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol

C11H16F2N2O — CID 65378664

IUPAC3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2O/c12-8-2-3-9(10(13)6-8)11(7-14)15-4-1-5-16/h2-3,6,11,15-16H,1,4-5,7,14H2
InChIKeyPPJFMJCTPDNSCV-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.94
Rot. Bonds6

About 3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol

3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol (PubChem CID 65378664) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol
PubChem CID65378664
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2O/c12-8-2-3-9(10(13)6-8)11(7-14)15-4-1-5-16/h2-3,6,11,15-16H,1,4-5,7,14H2
InChIKeyPPJFMJCTPDNSCV-UHFFFAOYSA-N
XLogP0.94
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62539902
1-(2,4-difluorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912601
3-[[2-amino-1-[2-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65378871
5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol
CID 107317087
4-[[2-amino-1-(4-bromo-2-chlorophenyl)ethyl]amino]butan-1-ol
CID 106841390
1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949729
N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62800720
1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 43496303
3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 65377403
1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol
CID 65189911
2-(aminomethyl)-1-(2,4-difluorophenyl)butan-1-ol
CID 65187853

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol (CID 65378664) is 3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol is NCC(NCCCO)c1ccc(F)cc1F.
What is the InChIKey of 3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol?
The InChIKey is PPJFMJCTPDNSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c12-8-2-3-9(10(13)6-8)11(7-14)15-4-1-5-16/h2-3,6,11,15-16H,1,4-5,7,14H2.
What are the key properties of 3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol?
3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol has a molecular weight of 230.26 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 65378664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).