1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol

C16H27NO2 — CID 111107920

IUPAC1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
SMILESCC(O)CN(Cc1cccc(OC(C)C)c1)C(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)17(10-14(5)18)11-15-7-6-8-16(9-15)19-13(3)4/h6-9,12-14,18H,10-11H2,1-5H3
InChIKeyDIIUMDWVFNPWNW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.07
Rot. Bonds7

About 1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol

1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol (PubChem CID 111107920) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
PubChem CID111107920
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
SMILESCC(O)CN(Cc1cccc(OC(C)C)c1)C(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)17(10-14(5)18)11-15-7-6-8-16(9-15)19-13(3)4/h6-9,12-14,18H,10-11H2,1-5H3
InChIKeyDIIUMDWVFNPWNW-UHFFFAOYSA-N
XLogP3.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
CID 111336303
2-methyl-3-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]-3-oxopropanoic acid
CID 122066518
3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 120873575
N-methyl-1-(3-nitrophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 112841430
(3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate
CID 12963459
2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119198334
1-(3-ethylphenoxy)ethanol
CID 66709778
(2S)-1-(4-chlorophenoxy)-3-[(3-methoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 93162109
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
2-amino-N-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 86784454
1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 22600659
N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62634740

Frequently Asked Questions

What is the IUPAC name of 1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol (CID 111107920) is 1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol is CC(O)CN(Cc1cccc(OC(C)C)c1)C(C)C.
What is the InChIKey of 1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol?
The InChIKey is DIIUMDWVFNPWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)17(10-14(5)18)11-15-7-6-8-16(9-15)19-13(3)4/h6-9,12-14,18H,10-11H2,1-5H3.
What are the key properties of 1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol?
1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 111107920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).