[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol

C14H23NO — CID 103947270

IUPAC[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
SMILESCCC(C)(CC)NCc1ccc(CO)cc1
InChIInChI=1S/C14H23NO/c1-4-14(3,5-2)15-10-12-6-8-13(11-16)9-7-12/h6-9,15-16H,4-5,10-11H2,1-3H3
InChIKeyKOQPOKQMMFXMAZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.85
Rot. Bonds6

About [4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol

[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol (PubChem CID 103947270) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
PubChem CID103947270
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
SMILESCCC(C)(CC)NCc1ccc(CO)cc1
InChIInChI=1S/C14H23NO/c1-4-14(3,5-2)15-10-12-6-8-13(11-16)9-7-12/h6-9,15-16H,4-5,10-11H2,1-3H3
InChIKeyKOQPOKQMMFXMAZ-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
CID 106328638
2-[4-[(3-methylpentan-3-ylamino)methyl]phenyl]acetic acid
CID 106330128
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106328140
2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol
CID 115524024
N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide
CID 103768915
2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol
CID 66408555
3-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pentan-3-amine
CID 106327870
4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64558344
2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 79810535
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 81145012

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol (CID 103947270) is [4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol is CCC(C)(CC)NCc1ccc(CO)cc1.
What is the InChIKey of [4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol?
The InChIKey is KOQPOKQMMFXMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-14(3,5-2)15-10-12-6-8-13(11-16)9-7-12/h6-9,15-16H,4-5,10-11H2,1-3H3.
What are the key properties of [4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol?
[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol has a molecular weight of 221.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol is sourced from PubChem (CID 103947270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).