3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol

C14H24N2O2 — CID 116957636

IUPAC3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(OC)c(C(C)C)c1)C(O)CN
InChIInChI=1S/C14H24N2O2/c1-9(2)11-7-10(5-6-13(11)18-4)14(16-3)12(17)8-15/h5-7,9,12,14,16-17H,8,15H2,1-4H3
InChIKeyDOVUZXCBIDDZQJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.40
Rot. Bonds6

About 3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol

3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol (PubChem CID 116957636) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol
PubChem CID116957636
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(OC)c(C(C)C)c1)C(O)CN
InChIInChI=1S/C14H24N2O2/c1-9(2)11-7-10(5-6-13(11)18-4)14(16-3)12(17)8-15/h5-7,9,12,14,16-17H,8,15H2,1-4H3
InChIKeyDOVUZXCBIDDZQJ-UHFFFAOYSA-N
XLogP1.40
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953316
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol
CID 116957715
2-[(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methyl]butanenitrile
CID 116960530
3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116957643
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116957681
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 116863189
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949707
3-(4-methoxy-3-propan-2-ylphenyl)-3-(methylamino)propanoic acid
CID 112518828

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol?
The IUPAC name of 3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol (CID 116957636) is 3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol is CNC(c1ccc(OC)c(C(C)C)c1)C(O)CN.
What is the InChIKey of 3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol?
The InChIKey is DOVUZXCBIDDZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)11-7-10(5-6-13(11)18-4)14(16-3)12(17)8-15/h5-7,9,12,14,16-17H,8,15H2,1-4H3.
What are the key properties of 3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol?
3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 116957636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).