[4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol

C20H28N2O — CID 110009629

IUPAC[4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol
SMILESCN(Cc1ccccc1)CC(C)(C)NCc1ccc(CO)cc1
InChIInChI=1S/C20H28N2O/c1-20(2,16-22(3)14-18-7-5-4-6-8-18)21-13-17-9-11-19(15-23)12-10-17/h4-12,21,23H,13-16H2,1-3H3
InChIKeyATRNYHHYXQJUTF-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.18
Rot. Bonds8

About [4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol

[4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol (PubChem CID 110009629) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is [4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol
PubChem CID110009629
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name[4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol
SMILESCN(Cc1ccccc1)CC(C)(C)NCc1ccc(CO)cc1
InChIInChI=1S/C20H28N2O/c1-20(2,16-22(3)14-18-7-5-4-6-8-18)21-13-17-9-11-19(15-23)12-10-17/h4-12,21,23H,13-16H2,1-3H3
InChIKeyATRNYHHYXQJUTF-UHFFFAOYSA-N
XLogP3.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol with MolForge

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Related Compounds

3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]propanamide
CID 75388511
1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol
CID 57140847
[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
CID 103947270
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N-benzyl-3-bromo-N,2,2-trimethylpropan-1-amine
CID 65000908
1-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62836356
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
CID 134123288
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
N-benzyl-N,2,2-trimethylbut-3-en-1-amine
CID 101149207
methanol;phenylmethanol
CID 19822462

Frequently Asked Questions

What is the IUPAC name of [4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol (CID 110009629) is [4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol is CN(Cc1ccccc1)CC(C)(C)NCc1ccc(CO)cc1.
What is the InChIKey of [4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol?
The InChIKey is ATRNYHHYXQJUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-20(2,16-22(3)14-18-7-5-4-6-8-18)21-13-17-9-11-19(15-23)12-10-17/h4-12,21,23H,13-16H2,1-3H3.
What are the key properties of [4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol?
[4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol has a molecular weight of 312.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 110009629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).