[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol

C15H24ClNO — CID 63541422

IUPAC[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol
SMILESCC(C)CN(CC(C)C)c1cccc(Cl)c1CO
InChIInChI=1S/C15H24ClNO/c1-11(2)8-17(9-12(3)4)15-7-5-6-14(16)13(15)10-18/h5-7,11-12,18H,8-10H2,1-4H3
InChIKeyMGVXVDDUWLUAEH-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.95
Rot. Bonds6

About [2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol

[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol (PubChem CID 63541422) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is [2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol
PubChem CID63541422
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol
SMILESCC(C)CN(CC(C)C)c1cccc(Cl)c1CO
InChIInChI=1S/C15H24ClNO/c1-11(2)8-17(9-12(3)4)15-7-5-6-14(16)13(15)10-18/h5-7,11-12,18H,8-10H2,1-4H3
InChIKeyMGVXVDDUWLUAEH-UHFFFAOYSA-N
XLogP3.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol
CID 79387897
[2-[bis(2-methylpropyl)amino]phenyl]methanol
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[2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol
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2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide
CID 54989045
2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 63817543
3-chloro-2-(chloromethyl)-N-ethyl-N-(2-methylbutyl)aniline
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[2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol
CID 103339584
5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol
CID 107200860
2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol
CID 63059873
3-[3-chloro-2-(hydroxymethyl)-N-(2-methoxyethyl)anilino]propanenitrile
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3-chloro-2-(chloromethyl)-N,N-dipropylaniline
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Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol?
The IUPAC name of [2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol (CID 63541422) is [2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol.
What is the SMILES notation for [2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol?
The canonical SMILES for [2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol is CC(C)CN(CC(C)C)c1cccc(Cl)c1CO.
What is the InChIKey of [2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol?
The InChIKey is MGVXVDDUWLUAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-11(2)8-17(9-12(3)4)15-7-5-6-14(16)13(15)10-18/h5-7,11-12,18H,8-10H2,1-4H3.
What are the key properties of [2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol?
[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol has a molecular weight of 269.82 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol is sourced from PubChem (CID 63541422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).