2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine

C16H27FN2 — CID 62569276

IUPAC2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H27FN2/c1-5-16(6-2)18-11-13(3)19(4)12-14-7-9-15(17)10-8-14/h7-10,13,16,18H,5-6,11-12H2,1-4H3
InChIKeyBBYYSRAQPVFZLA-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.42
Rot. Bonds8

About 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine

2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 62569276) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
PubChem CID62569276
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H27FN2/c1-5-16(6-2)18-11-13(3)19(4)12-14-7-9-15(17)10-8-14/h7-10,13,16,18H,5-6,11-12H2,1-4H3
InChIKeyBBYYSRAQPVFZLA-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butan-2-yl-2-N-[(4-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62569275
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569094
2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569093
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64707610
2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413577
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62568221
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367
1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62570719
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717047
6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine
CID 67734751

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine (CID 62569276) is 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)NCC(C)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is BBYYSRAQPVFZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-16(6-2)18-11-13(3)19(4)12-14-7-9-15(17)10-8-14/h7-10,13,16,18H,5-6,11-12H2,1-4H3.
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 62569276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).