1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine

C16H25NO2 — CID 103546421

IUPAC1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1)CC1OCCO1
InChIInChI=1S/C16H25NO2/c1-2-10-17-15(13-16-18-11-12-19-16)9-8-14-6-4-3-5-7-14/h3-7,15-17H,2,8-13H2,1H3
InChIKeyIUJJSZJQUKEYIV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.75
Rot. Bonds8

About 1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine

1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine (PubChem CID 103546421) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
PubChem CID103546421
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1)CC1OCCO1
InChIInChI=1S/C16H25NO2/c1-2-10-17-15(13-16-18-11-12-19-16)9-8-14-6-4-3-5-7-14/h3-7,15-17H,2,8-13H2,1H3
InChIKeyIUJJSZJQUKEYIV-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
1-(1,4-dioxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 65352692
1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546384
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217
1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
CID 103546362
1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417309
1-(3,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103547300
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105139780
1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 105138737
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417307

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine (CID 103546421) is 1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine is CCCNC(CCc1ccccc1)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine?
The InChIKey is IUJJSZJQUKEYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-10-17-15(13-16-18-11-12-19-16)9-8-14-6-4-3-5-7-14/h3-7,15-17H,2,8-13H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine?
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine is sourced from PubChem (CID 103546421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).