1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol

C14H22ClNO2 — CID 112610429

IUPAC1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol
SMILESCC(O)COc1c(Cl)cccc1CNC(C)(C)C
InChIInChI=1S/C14H22ClNO2/c1-10(17)9-18-13-11(6-5-7-12(13)15)8-16-14(2,3)4/h5-7,10,16-17H,8-9H2,1-4H3
InChIKeyYNMQUUULRUXVQZ-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.99
Rot. Bonds5

About 1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol

1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol (PubChem CID 112610429) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol
PubChem CID112610429
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol
SMILESCC(O)COc1c(Cl)cccc1CNC(C)(C)C
InChIInChI=1S/C14H22ClNO2/c1-10(17)9-18-13-11(6-5-7-12(13)15)8-16-14(2,3)4/h5-7,10,16-17H,8-9H2,1-4H3
InChIKeyYNMQUUULRUXVQZ-UHFFFAOYSA-N
XLogP2.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
CID 63057467
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610454
N-[[3-chloro-2-(4-methoxybutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 104647181
3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide
CID 115954742
N-[(3-chloro-2-pent-3-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 104805501
2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline
CID 114068118
2-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]butanenitrile
CID 112610459
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17293607
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 112610190

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol?
The IUPAC name of 1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol (CID 112610429) is 1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol?
The canonical SMILES for 1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol is CC(O)COc1c(Cl)cccc1CNC(C)(C)C.
What is the InChIKey of 1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol?
The InChIKey is YNMQUUULRUXVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-10(17)9-18-13-11(6-5-7-12(13)15)8-16-14(2,3)4/h5-7,10,16-17H,8-9H2,1-4H3.
What are the key properties of 1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol?
1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol is sourced from PubChem (CID 112610429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).