methylamino-(4-propan-2-ylphenyl)methanol

C11H17NO — CID 116954610

IUPACmethylamino-(4-propan-2-ylphenyl)methanol
SMILESCNC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H17NO/c1-8(2)9-4-6-10(7-5-9)11(13)12-3/h4-8,11-13H,1-3H3
InChIKeyNWBGZTLCHIKAQA-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.02
Rot. Bonds3

About methylamino-(4-propan-2-ylphenyl)methanol

methylamino-(4-propan-2-ylphenyl)methanol (PubChem CID 116954610) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is methylamino-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Namemethylamino-(4-propan-2-ylphenyl)methanol
PubChem CID116954610
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Namemethylamino-(4-propan-2-ylphenyl)methanol
SMILESCNC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H17NO/c1-8(2)9-4-6-10(7-5-9)11(13)12-3/h4-8,11-13H,1-3H3
InChIKeyNWBGZTLCHIKAQA-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol
CID 130456832
methylamino-(4-propan-2-ylphenyl)methanethiol
CID 116954450
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
4-[(R)-hydroxy(methylamino)methyl]benzene-1,2-diol
CID 58060681
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
3-(4-propan-2-ylphenyl)butan-2-ol
CID 66438061
(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid
CID 93280068
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401
3-[4-[hydroxy(methylamino)methyl]phenyl]phenol
CID 135170284
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044

Frequently Asked Questions

What is the IUPAC name of methylamino-(4-propan-2-ylphenyl)methanol?
The IUPAC name of methylamino-(4-propan-2-ylphenyl)methanol (CID 116954610) is methylamino-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for methylamino-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for methylamino-(4-propan-2-ylphenyl)methanol is CNC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of methylamino-(4-propan-2-ylphenyl)methanol?
The InChIKey is NWBGZTLCHIKAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)9-4-6-10(7-5-9)11(13)12-3/h4-8,11-13H,1-3H3.
What are the key properties of methylamino-(4-propan-2-ylphenyl)methanol?
methylamino-(4-propan-2-ylphenyl)methanol has a molecular weight of 179.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 116954610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).