1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine

C15H25FN2O — CID 54986740

IUPAC1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCOCCN(CC(C)C)C(CN)c1ccccc1F
InChIInChI=1S/C15H25FN2O/c1-12(2)11-18(8-9-19-3)15(10-17)13-6-4-5-7-14(13)16/h4-7,12,15H,8-11,17H2,1-3H3
InChIKeyAMJSRNUYCSOVPE-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.43
Rot. Bonds8

About 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine

1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 54986740) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID54986740
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCOCCN(CC(C)C)C(CN)c1ccccc1F
InChIInChI=1S/C15H25FN2O/c1-12(2)11-18(8-9-19-3)15(10-17)13-6-4-5-7-14(13)16/h4-7,12,15H,8-11,17H2,1-3H3
InChIKeyAMJSRNUYCSOVPE-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54987179
N,N-bis(2-methoxyethyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 60709829
2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol
CID 82042898
1-(4-fluoro-3-methylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62120803
1-(furan-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54986599
1-(2-fluorophenyl)-N'-(2-methoxyethyl)-N',2-dimethylpropane-1,3-diamine
CID 112679868
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 115997200
1-(5-chloro-2-fluorophenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114842934
1-(2-bromophenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61448446
1-(5-chloro-2-fluorophenyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 114843066
1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269458
1-(4-chloro-2-fluorophenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114842933

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 54986740) is 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine is COCCN(CC(C)C)C(CN)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is AMJSRNUYCSOVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-12(2)11-18(8-9-19-3)15(10-17)13-6-4-5-7-14(13)16/h4-7,12,15H,8-11,17H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 54986740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).