2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine

C16H27FN2 — CID 83042926

IUPAC2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
SMILESCCCC(CNC(C)C)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H27FN2/c1-5-7-16(11-18-13(2)3)19(4)12-14-8-6-9-15(17)10-14/h6,8-10,13,16,18H,5,7,11-12H2,1-4H3
InChIKeyMYJLJXPGBFBLFC-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.42
Rot. Bonds8

About 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine

2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine (PubChem CID 83042926) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
PubChem CID83042926
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
SMILESCCCC(CNC(C)C)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H27FN2/c1-5-7-16(11-18-13(2)3)19(4)12-14-8-6-9-15(17)10-14/h6,8-10,13,16,18H,5,7,11-12H2,1-4H3
InChIKeyMYJLJXPGBFBLFC-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

2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine
CID 83043127
1-N-tert-butyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83042724
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 55089188
2-N-[(3-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054284
2-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077
3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine
CID 79414838
2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225472
2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid
CID 113373573
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093303
2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
CID 63522096
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine (CID 83042926) is 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine is CCCC(CNC(C)C)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine?
The InChIKey is MYJLJXPGBFBLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-7-16(11-18-13(2)3)19(4)12-14-8-6-9-15(17)10-14/h6,8-10,13,16,18H,5,7,11-12H2,1-4H3.
What are the key properties of 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine?
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-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-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine is sourced from PubChem (CID 83042926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).