N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine

C16H27FN2 — CID 62260843

IUPACN-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(C)Cc1ccccc1F
InChIInChI=1S/C16H27FN2/c1-5-10-18-12-16(2,3)13-19(4)11-14-8-6-7-9-15(14)17/h6-9,18H,5,10-13H2,1-4H3
InChIKeyBUWQCKIVDFIBBQ-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.28
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine

N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine (PubChem CID 62260843) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
PubChem CID62260843
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC NameN-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(C)Cc1ccccc1F
InChIInChI=1S/C16H27FN2/c1-5-10-18-12-16(2,3)13-19(4)11-14-8-6-7-9-15(14)17/h6-9,18H,5,10-13H2,1-4H3
InChIKeyBUWQCKIVDFIBBQ-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 62264784
1-N-[(2-fluorophenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452352
1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine
CID 79811279
N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499
2-[(2-fluorophenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 63509772
2-[(2-fluorophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
CID 63937969
3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol
CID 62264951
2-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-2-propylpentan-1-amine
CID 65005275
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 107454799
N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
CID 62435559
N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine
CID 165462183
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine (CID 62260843) is N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine is CCCNCC(C)(C)CN(C)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is BUWQCKIVDFIBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-10-18-12-16(2,3)13-19(4)11-14-8-6-7-9-15(14)17/h6-9,18H,5,10-13H2,1-4H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62260843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).