2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol

C14H23NO2 — CID 79254253

IUPAC2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol
SMILESCOCc1ccc(CNC(CO)C(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-11(2)14(9-16)15-8-12-4-6-13(7-5-12)10-17-3/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyNKKRNVQQOFZYLE-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.94
Rot. Bonds7

About 2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol

2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol (PubChem CID 79254253) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol
PubChem CID79254253
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol
SMILESCOCc1ccc(CNC(CO)C(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-11(2)14(9-16)15-8-12-4-6-13(7-5-12)10-17-3/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyNKKRNVQQOFZYLE-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 79253395
4-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzonitrile
CID 79254098
4-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzene-1,2-diol
CID 79253374
2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254471
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol
CID 79254755
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide
CID 115579712
(2S)-2-[2-(4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 79249013
(2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol
CID 103740251
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol (CID 79254253) is 2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol is COCc1ccc(CNC(CO)C(C)C)cc1.
What is the InChIKey of 2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol?
The InChIKey is NKKRNVQQOFZYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)14(9-16)15-8-12-4-6-13(7-5-12)10-17-3/h4-7,11,14-16H,8-10H2,1-3H3.
What are the key properties of 2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol?
2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 79254253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).