N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine

C14H22F2N2 — CID 165462183

IUPACN-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(F)(F)CN(C)Cc1ccccc1
InChIInChI=1S/C14H22F2N2/c1-3-9-17-11-14(15,16)12-18(2)10-13-7-5-4-6-8-13/h4-8,17H,3,9-12H2,1-2H3
InChIKeyAJXMIFWXQZBRTK-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.75
Rot. Bonds8

About N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine

N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine (PubChem CID 165462183) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine
PubChem CID165462183
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC NameN-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(F)(F)CN(C)Cc1ccccc1
InChIInChI=1S/C14H22F2N2/c1-3-9-17-11-14(15,16)12-18(2)10-13-7-5-4-6-8-13/h4-8,17H,3,9-12H2,1-2H3
InChIKeyAJXMIFWXQZBRTK-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.75
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

N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62260843
N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine
CID 63482171
N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494839
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]propanamide
CID 75388511
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477
N-benzyl-N,2,2-trimethylbut-3-en-1-amine
CID 101149207
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine (CID 165462183) is N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine is CCCNCC(F)(F)CN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is AJXMIFWXQZBRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-3-9-17-11-14(15,16)12-18(2)10-13-7-5-4-6-8-13/h4-8,17H,3,9-12H2,1-2H3.
What are the key properties of N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine?
N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 165462183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).