3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol

C15H21NO3 — CID 141202028

IUPAC3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol
SMILESCC1(C)OC=C(C(CO)CNCc2ccccc2)O1
InChIInChI=1S/C15H21NO3/c1-15(2)18-11-14(19-15)13(10-17)9-16-8-12-6-4-3-5-7-12/h3-7,11,13,16-17H,8-10H2,1-2H3
InChIKeyMPXBBXMWFRMBJA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.01
Rot. Bonds6

About 3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol

3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol (PubChem CID 141202028) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol
PubChem CID141202028
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol
SMILESCC1(C)OC=C(C(CO)CNCc2ccccc2)O1
InChIInChI=1S/C15H21NO3/c1-15(2)18-11-14(19-15)13(10-17)9-16-8-12-6-4-3-5-7-12/h3-7,11,13,16-17H,8-10H2,1-2H3
InChIKeyMPXBBXMWFRMBJA-UHFFFAOYSA-N
XLogP2.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine
CID 141372751
(2S)-1-(benzylamino)propan-2-ol
CID 964914
N-benzyl-2-phenylbutan-1-amine
CID 60658494
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
(2R,3S,4R,5R)-5,6-bis(benzylamino)hexane-1,2,3,4-tetrol
CID 90358448
(2S,3S)-5-(benzylamino)pentane-1,2,3-triol
CID 22804690
N-benzylethanamine;tris(yttrium)
CID 158198357
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
(2S)-1-(benzylamino)dodecan-2-ol
CID 98082078
1-(benzylamino)decan-2-ol
CID 42614665
1-(benzylamino)octan-2-ol
CID 71341698
N-benzyl-2-methoxypropan-1-amine
CID 58887986

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol?
The IUPAC name of 3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol (CID 141202028) is 3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol?
The canonical SMILES for 3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol is CC1(C)OC=C(C(CO)CNCc2ccccc2)O1.
What is the InChIKey of 3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol?
The InChIKey is MPXBBXMWFRMBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2)18-11-14(19-15)13(10-17)9-16-8-12-6-4-3-5-7-12/h3-7,11,13,16-17H,8-10H2,1-2H3.
What are the key properties of 3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol?
3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol is sourced from PubChem (CID 141202028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).