1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine

C15H25FN2O — CID 82948540

IUPAC1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCOCCN(C(C)C)C(c1cccc(F)c1)C(C)N
InChIInChI=1S/C15H25FN2O/c1-11(2)18(8-9-19-4)15(12(3)17)13-6-5-7-14(16)10-13/h5-7,10-12,15H,8-9,17H2,1-4H3
InChIKeyHJRDVNYYFUYAEE-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.57
Rot. Bonds7

About 1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine

1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 82948540) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID82948540
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCOCCN(C(C)C)C(c1cccc(F)c1)C(C)N
InChIInChI=1S/C15H25FN2O/c1-11(2)18(8-9-19-4)15(12(3)17)13-6-5-7-14(16)10-13/h5-7,10-12,15H,8-9,17H2,1-4H3
InChIKeyHJRDVNYYFUYAEE-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82940398
1-(3-fluorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62643348
1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82948070
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 82949019
2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol
CID 55020152
2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62922758
1-(2-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82949014
1-(3-fluorophenyl)-2-methoxypropan-1-amine
CID 79616556
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330
4-(3-fluorophenyl)pentan-2-amine
CID 64719405
1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949339

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine (CID 82948540) is 1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine is COCCN(C(C)C)C(c1cccc(F)c1)C(C)N.
What is the InChIKey of 1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is HJRDVNYYFUYAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-11(2)18(8-9-19-4)15(12(3)17)13-6-5-7-14(16)10-13/h5-7,10-12,15H,8-9,17H2,1-4H3.
What are the key properties of 1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine?
1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 82948540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).