N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine

C22H30FN — CID 122491448

IUPACN,N-dibenzyl-2-fluoro-2-propylpentan-1-amine
SMILESCCCC(F)(CCC)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H30FN/c1-3-15-22(23,16-4-2)19-24(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14H,3-4,15-19H2,1-2H3
InChIKeyVKERHUSKXPYMDO-UHFFFAOYSA-N
MW327.49 g/mol
LogP6.00
Rot. Bonds10

About N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine

N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine (PubChem CID 122491448) has the molecular formula C22H30FN and a molecular weight of 327.49 g/mol. Its IUPAC name is N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-2-fluoro-2-propylpentan-1-amine
PubChem CID122491448
Molecular FormulaC22H30FN
Molecular Weight327.49 g/mol
Exact Mass327.24
IUPAC NameN,N-dibenzyl-2-fluoro-2-propylpentan-1-amine
SMILESCCCC(F)(CCC)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H30FN/c1-3-15-22(23,16-4-2)19-24(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14H,3-4,15-19H2,1-2H3
InChIKeyVKERHUSKXPYMDO-UHFFFAOYSA-N
XLogP6.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine
CID 60852613
N,N-dibenzylpropan-1-amine
CID 10840212
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
3-(dibenzylamino)-2,2-difluoropropanal
CID 139388979
3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
CID 143474045
N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366167
1-N,1-N-dibenzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847858
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366107
2-fluoro-5-phenyl-2-propylpentan-1-amine
CID 112567709
N-benzyl-1,1,1-trifluoro-N-methylmethanamine
CID 5167579

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine?
The IUPAC name of N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine (CID 122491448) is N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine.
What is the SMILES notation for N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine?
The canonical SMILES for N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine is CCCC(F)(CCC)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine?
The InChIKey is VKERHUSKXPYMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN/c1-3-15-22(23,16-4-2)19-24(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14H,3-4,15-19H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine?
N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine has a molecular weight of 327.49 g/mol, XLogP of 6.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine is sourced from PubChem (CID 122491448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).