4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol

C16H22N2O — CID 117039266

IUPAC4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol
SMILESCN(Cc1ccc2ccccc2c1)CC(O)CCN
InChIInChI=1S/C16H22N2O/c1-18(12-16(19)8-9-17)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16,19H,8-9,11-12,17H2,1H3
InChIKeyLVOXLXPGQRISPI-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.98
Rot. Bonds6

About 4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol

4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol (PubChem CID 117039266) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol
PubChem CID117039266
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol
SMILESCN(Cc1ccc2ccccc2c1)CC(O)CCN
InChIInChI=1S/C16H22N2O/c1-18(12-16(19)8-9-17)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16,19H,8-9,11-12,17H2,1H3
InChIKeyLVOXLXPGQRISPI-UHFFFAOYSA-N
XLogP1.98
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[(3-fluorophenyl)methyl-methylamino]butan-2-ol
CID 117039251
1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115199470
4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol
CID 117039239
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol
CID 117039211
2-N,2-dimethyl-2-N-(naphthalen-2-ylmethyl)propane-1,2-diamine
CID 115132094
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270375
CID 15863483
CID 15863483
4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol
CID 117039279
1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115200753
CID 149219600
CID 149219600
2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol
CID 44546740

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol?
The IUPAC name of 4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol (CID 117039266) is 4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol is CN(Cc1ccc2ccccc2c1)CC(O)CCN.
What is the InChIKey of 4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol?
The InChIKey is LVOXLXPGQRISPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18(12-16(19)8-9-17)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16,19H,8-9,11-12,17H2,1H3.
What are the key properties of 4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol?
4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol has a molecular weight of 258.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 117039266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).