N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine

C14H21NO2 — CID 75504500

IUPACN-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine
SMILESCC(NCC1OCCO1)C(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(13-6-4-3-5-7-13)12(2)15-10-14-16-8-9-17-14/h3-7,11-12,14-15H,8-10H2,1-2H3
InChIKeyDVXLKOJXWAFTKD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds5

About N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine

N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine (PubChem CID 75504500) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine
PubChem CID75504500
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine
SMILESCC(NCC1OCCO1)C(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(13-6-4-3-5-7-13)12(2)15-10-14-16-8-9-17-14/h3-7,11-12,14-15H,8-10H2,1-2H3
InChIKeyDVXLKOJXWAFTKD-UHFFFAOYSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine
CID 100620908
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
3-phenyl-N-prop-2-ynylbutan-2-amine
CID 115706901
2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine
CID 115887797
N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine
CID 119153366
(3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol
CID 103871716
N-(2-methylsulfanylethyl)-3-phenylbutan-2-amine
CID 115706156
N-chloro-3-phenylbutan-2-amine
CID 89161860
2-(3-phenylbutan-2-ylamino)propane-1,3-diol
CID 115724145
N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 75504547
N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine
CID 86818574
(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol
CID 173329938

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine (CID 75504500) is N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine is CC(NCC1OCCO1)C(C)c1ccccc1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine?
The InChIKey is DVXLKOJXWAFTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(13-6-4-3-5-7-13)12(2)15-10-14-16-8-9-17-14/h3-7,11-12,14-15H,8-10H2,1-2H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine?
N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine is sourced from PubChem (CID 75504500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).