methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid

C17H30N2O7 — CID 70043339

IUPACmethanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid
SMILESCN.COc1ccccc1OCC(O)C(C)NC(C)C.O=C(O)C(=O)O
InChIInChI=1S/C14H23NO3.C2H2O4.CH5N/c1-10(2)15-11(3)12(16)9-18-14-8-6-5-7-13(14)17-4;3-1(4)2(5)6;1-2/h5-8,10-12,15-16H,9H2,1-4H3;(H,3,4)(H,5,6);2H2,1H3
InChIKeyNLTVLXRBCBSOFP-UHFFFAOYSA-N
MW374.43 g/mol
LogP0.55
Rot. Bonds7

About methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid

methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid (PubChem CID 70043339) has the molecular formula C17H30N2O7 and a molecular weight of 374.43 g/mol. Its IUPAC name is methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid.

Molecular Properties

Compound Namemethanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid
PubChem CID70043339
Molecular FormulaC17H30N2O7
Molecular Weight374.43 g/mol
Exact Mass374.21
IUPAC Namemethanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid
SMILESCN.COc1ccccc1OCC(O)C(C)NC(C)C.O=C(O)C(=O)O
InChIInChI=1S/C14H23NO3.C2H2O4.CH5N/c1-10(2)15-11(3)12(16)9-18-14-8-6-5-7-13(14)17-4;3-1(4)2(5)6;1-2/h5-8,10-12,15-16H,9H2,1-4H3;(H,3,4)(H,5,6);2H2,1H3
InChIKeyNLTVLXRBCBSOFP-UHFFFAOYSA-N
XLogP0.55
TPSA151.34 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 50.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxalic acid;(2R,3S)-1-phenoxy-3-(propan-2-ylamino)butan-2-ol
CID 90675134
2-[2-[2-hydroxy-3-(propan-2-ylamino)butoxy]phenoxy]-N-methylacetamide;hydrochloride
CID 45259676
[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid
CID 165430264
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate
CID 19108663
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide
CID 103914023
[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid
CID 54242139
1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol
CID 12912515
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate
CID 63039911

Frequently Asked Questions

What is the IUPAC name of methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid?
The IUPAC name of methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid (CID 70043339) is methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid.
What is the SMILES notation for methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid?
The canonical SMILES for methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid is CN.COc1ccccc1OCC(O)C(C)NC(C)C.O=C(O)C(=O)O.
What is the InChIKey of methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid?
The InChIKey is NLTVLXRBCBSOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3.C2H2O4.CH5N/c1-10(2)15-11(3)12(16)9-18-14-8-6-5-7-13(14)17-4;3-1(4)2(5)6;1-2/h5-8,10-12,15-16H,9H2,1-4H3;(H,3,4)(H,5,6);2H2,1H3.
What are the key properties of methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid?
methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid has a molecular weight of 374.43 g/mol, XLogP of 0.55, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid is sourced from PubChem (CID 70043339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).