1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol

C15H26N2O2 — CID 115121813

IUPAC1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol
SMILESCOc1ccc(C)cc1C(C)(C)CNCC(O)CN
InChIInChI=1S/C15H26N2O2/c1-11-5-6-14(19-4)13(7-11)15(2,3)10-17-9-12(18)8-16/h5-7,12,17-18H,8-10,16H2,1-4H3
InChIKeyRIFRYJZRIXOZIN-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.19
Rot. Bonds7

About 1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol

1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol (PubChem CID 115121813) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol
PubChem CID115121813
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol
SMILESCOc1ccc(C)cc1C(C)(C)CNCC(O)CN
InChIInChI=1S/C15H26N2O2/c1-11-5-6-14(19-4)13(7-11)15(2,3)10-17-9-12(18)8-16/h5-7,12,17-18H,8-10,16H2,1-4H3
InChIKeyRIFRYJZRIXOZIN-UHFFFAOYSA-N
XLogP1.19
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
1-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199715
3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propane-1-thiol
CID 115225320
N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198929
1-amino-3-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]urea
CID 115193138
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135
N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 83107386
2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121019
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43343245
2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
CID 115173415
2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003662

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol?
The IUPAC name of 1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol (CID 115121813) is 1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol?
The canonical SMILES for 1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol is COc1ccc(C)cc1C(C)(C)CNCC(O)CN.
What is the InChIKey of 1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol?
The InChIKey is RIFRYJZRIXOZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11-5-6-14(19-4)13(7-11)15(2,3)10-17-9-12(18)8-16/h5-7,12,17-18H,8-10,16H2,1-4H3.
What are the key properties of 1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol?
1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol is sourced from PubChem (CID 115121813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).