2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine

C15H25FN2O — CID 79052974

IUPAC2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H25FN2O/c1-6-18(7-2)15(3,4)14(17)11-8-9-13(19-5)12(16)10-11/h8-10,14H,6-7,17H2,1-5H3
InChIKeyNSBMQDZUEIVVFI-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.95
Rot. Bonds6

About 2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine

2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine (PubChem CID 79052974) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
PubChem CID79052974
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H25FN2O/c1-6-18(7-2)15(3,4)14(17)11-8-9-13(19-5)12(16)10-11/h8-10,14H,6-7,17H2,1-5H3
InChIKeyNSBMQDZUEIVVFI-UHFFFAOYSA-N
XLogP2.95
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine with MolForge

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053803
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
CID 107128883
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine
CID 43474238
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 79046198
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine (CID 79052974) is 2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine is CCN(CC)C(C)(C)C(N)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine?
The InChIKey is NSBMQDZUEIVVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-6-18(7-2)15(3,4)14(17)11-8-9-13(19-5)12(16)10-11/h8-10,14H,6-7,17H2,1-5H3.
What are the key properties of 2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine?
2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 79052974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).