2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol

C16H27NO2 — CID 114492020

IUPAC2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
SMILESCCC(C)(O)COc1cccc(CNCC(C)C)c1
InChIInChI=1S/C16H27NO2/c1-5-16(4,18)12-19-15-8-6-7-14(9-15)11-17-10-13(2)3/h6-9,13,17-18H,5,10-12H2,1-4H3
InChIKeyQYFJCBLVHLWMRB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.97
Rot. Bonds8

About 2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol

2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol (PubChem CID 114492020) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
PubChem CID114492020
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
SMILESCCC(C)(O)COc1cccc(CNCC(C)C)c1
InChIInChI=1S/C16H27NO2/c1-5-16(4,18)12-19-15-8-6-7-14(9-15)11-17-10-13(2)3/h6-9,13,17-18H,5,10-12H2,1-4H3
InChIKeyQYFJCBLVHLWMRB-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
2-methyl-1-[3-[(2-methylpropylamino)methyl]phenyl]sulfanylbutan-2-ol
CID 114497063
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
1-methoxy-3-[3-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 63928987
3-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491976
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308
[3-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate
CID 3321893
2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890981
N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570264
2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63497350
3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol
CID 66168780
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol?
The IUPAC name of 2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol (CID 114492020) is 2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol?
The canonical SMILES for 2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol is CCC(C)(O)COc1cccc(CNCC(C)C)c1.
What is the InChIKey of 2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol?
The InChIKey is QYFJCBLVHLWMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-16(4,18)12-19-15-8-6-7-14(9-15)11-17-10-13(2)3/h6-9,13,17-18H,5,10-12H2,1-4H3.
What are the key properties of 2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol?
2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol is sourced from PubChem (CID 114492020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).