1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine

C16H27FN2O — CID 82948070

IUPAC1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(N)C(c1ccc(F)cc1)N(CCOC)C(C)C
InChIInChI=1S/C16H27FN2O/c1-5-15(18)16(13-6-8-14(17)9-7-13)19(12(2)3)10-11-20-4/h6-9,12,15-16H,5,10-11,18H2,1-4H3
InChIKeySWLSXPUDIMOYRN-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.96
Rot. Bonds8

About 1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine

1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 82948070) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID82948070
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Name1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(N)C(c1ccc(F)cc1)N(CCOC)C(C)C
InChIInChI=1S/C16H27FN2O/c1-5-15(18)16(13-6-8-14(17)9-7-13)19(12(2)3)10-11-20-4/h6-9,12,15-16H,5,10-11,18H2,1-4H3
InChIKeySWLSXPUDIMOYRN-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82949014
1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82940398
1-N-(2-ethoxyethyl)-1-(4-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 81052895
1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 82948540
1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
CID 118373947
4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol
CID 82982782
1-(4-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54987179
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 143926197
1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949339
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 82948289

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine (CID 82948070) is 1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine is CCC(N)C(c1ccc(F)cc1)N(CCOC)C(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is SWLSXPUDIMOYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-5-15(18)16(13-6-8-14(17)9-7-13)19(12(2)3)10-11-20-4/h6-9,12,15-16H,5,10-11,18H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine?
1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 282.40 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 82948070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).