1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol

C22H30N2O — CID 86952535

IUPAC1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
SMILESCN(Cc1ccccc1)CC(O)CN(C)C1CCc2ccccc2C1
InChIInChI=1S/C22H30N2O/c1-23(15-18-8-4-3-5-9-18)16-22(25)17-24(2)21-13-12-19-10-6-7-11-20(19)14-21/h3-11,21-22,25H,12-17H2,1-2H3
InChIKeyNCVVECKWDVUTCG-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.97
Rot. Bonds7

About 1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol

1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol (PubChem CID 86952535) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
PubChem CID86952535
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
SMILESCN(Cc1ccccc1)CC(O)CN(C)C1CCc2ccccc2C1
InChIInChI=1S/C22H30N2O/c1-23(15-18-8-4-3-5-9-18)16-22(25)17-24(2)21-13-12-19-10-6-7-11-20(19)14-21/h3-11,21-22,25H,12-17H2,1-2H3
InChIKeyNCVVECKWDVUTCG-UHFFFAOYSA-N
XLogP2.97
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 111613392
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
1-[benzyl(methyl)amino]-3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]propan-2-ol
CID 86882558
1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
CID 111335526
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 134795524
1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 110929932
2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 14798927
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
(1R)-1-[6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanol
CID 20638560
1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol
CID 112810893
N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 54535301
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol (CID 86952535) is 1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol is CN(Cc1ccccc1)CC(O)CN(C)C1CCc2ccccc2C1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol?
The InChIKey is NCVVECKWDVUTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-23(15-18-8-4-3-5-9-18)16-22(25)17-24(2)21-13-12-19-10-6-7-11-20(19)14-21/h3-11,21-22,25H,12-17H2,1-2H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol?
1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol has a molecular weight of 338.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol is sourced from PubChem (CID 86952535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).