1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol

C15H26N2O2 — CID 54994011

IUPAC1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol
SMILESCOCC(O)CN(C)c1ccccc1CNC(C)C
InChIInChI=1S/C15H26N2O2/c1-12(2)16-9-13-7-5-6-8-15(13)17(3)10-14(18)11-19-4/h5-8,12,14,16,18H,9-11H2,1-4H3
InChIKeyOHDNBGFYCUCHPV-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.63
Rot. Bonds8

About 1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol

1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol (PubChem CID 54994011) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol
PubChem CID54994011
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol
SMILESCOCC(O)CN(C)c1ccccc1CNC(C)C
InChIInChI=1S/C15H26N2O2/c1-12(2)16-9-13-7-5-6-8-15(13)17(3)10-14(18)11-19-4/h5-8,12,14,16,18H,9-11H2,1-4H3
InChIKeyOHDNBGFYCUCHPV-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]-3-methoxypropan-2-ol
CID 62124541
1-[2-[1-(ethylamino)ethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 54994046
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 115995040
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 112610151
1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 113392602
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553389
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563622
1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
CID 114281243

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol (CID 54994011) is 1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol is COCC(O)CN(C)c1ccccc1CNC(C)C.
What is the InChIKey of 1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol?
The InChIKey is OHDNBGFYCUCHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(2)16-9-13-7-5-6-8-15(13)17(3)10-14(18)11-19-4/h5-8,12,14,16,18H,9-11H2,1-4H3.
What are the key properties of 1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol?
1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol is sourced from PubChem (CID 54994011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).