N,N-dibenzyl-1-fluoropropan-2-amine

C17H20FN — CID 70794652

IUPACN,N-dibenzyl-1-fluoropropan-2-amine
SMILESCC(CF)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H20FN/c1-15(12-18)19(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3
InChIKeyTYAQDEZTQZEAFQ-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.05
Rot. Bonds6

About N,N-dibenzyl-1-fluoropropan-2-amine

N,N-dibenzyl-1-fluoropropan-2-amine (PubChem CID 70794652) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N,N-dibenzyl-1-fluoropropan-2-amine.

Molecular Properties

Compound NameN,N-dibenzyl-1-fluoropropan-2-amine
PubChem CID70794652
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN,N-dibenzyl-1-fluoropropan-2-amine
SMILESCC(CF)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H20FN/c1-15(12-18)19(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3
InChIKeyTYAQDEZTQZEAFQ-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765
3-[benzyl(ethyl)amino]butan-1-ol
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(2R)-2-(dibenzylamino)propanoic acid
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N,N-dibenzyl-1,1-bis(phosphanyl)methanamine
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3-[benzyl(propyl)amino]butan-2-ol
CID 131042967
(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-fluoropropan-2-amine?
The IUPAC name of N,N-dibenzyl-1-fluoropropan-2-amine (CID 70794652) is N,N-dibenzyl-1-fluoropropan-2-amine.
What is the SMILES notation for N,N-dibenzyl-1-fluoropropan-2-amine?
The canonical SMILES for N,N-dibenzyl-1-fluoropropan-2-amine is CC(CF)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-fluoropropan-2-amine?
The InChIKey is TYAQDEZTQZEAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-15(12-18)19(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3.
What are the key properties of N,N-dibenzyl-1-fluoropropan-2-amine?
N,N-dibenzyl-1-fluoropropan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-fluoropropan-2-amine is sourced from PubChem (CID 70794652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).