2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine

C14H23FN2 — CID 55072069

IUPAC2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)NCC(C)N(C)Cc1ccccc1F
InChIInChI=1S/C14H23FN2/c1-11(2)16-9-12(3)17(4)10-13-7-5-6-8-14(13)15/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyONRWVQRKGALAFE-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.64
Rot. Bonds6

About 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine

2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 55072069) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID55072069
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)NCC(C)N(C)Cc1ccccc1F
InChIInChI=1S/C14H23FN2/c1-11(2)16-9-12(3)17(4)10-13-7-5-6-8-14(13)15/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyONRWVQRKGALAFE-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62437144
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62569616
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61412231
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine
CID 62434377
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072605
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61042939
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 103984394
methyl 3-[(2-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406108
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine (CID 55072069) is 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine is CC(C)NCC(C)N(C)Cc1ccccc1F.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is ONRWVQRKGALAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11(2)16-9-12(3)17(4)10-13-7-5-6-8-14(13)15/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55072069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).