N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

C20H26N2 — CID 134795524

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)c1ccc(CN(C)C2CCc3ccccc3C2)cc1
InChIInChI=1S/C20H26N2/c1-21(2)19-11-8-16(9-12-19)15-22(3)20-13-10-17-6-4-5-7-18(17)14-20/h4-9,11-12,20H,10,13-15H2,1-3H3
InChIKeyGHWUDLIVSBQYAB-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.74
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 134795524) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID134795524
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)c1ccc(CN(C)C2CCc3ccccc3C2)cc1
InChIInChI=1S/C20H26N2/c1-21(2)19-11-8-16(9-12-19)15-22(3)20-13-10-17-6-4-5-7-18(17)14-20/h4-9,11-12,20H,10,13-15H2,1-3H3
InChIKeyGHWUDLIVSBQYAB-UHFFFAOYSA-N
XLogP3.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 14798927
1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
CID 86952535
N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 50961757
N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314121
(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 129379528
3-[4-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 56875011
N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 54535301
(2R)-N-methyl-N-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 26458421
1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 127321753
N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine
CID 143888403
methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate
CID 124564597
4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673677

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 134795524) is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)c1ccc(CN(C)C2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is GHWUDLIVSBQYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-21(2)19-11-8-16(9-12-19)15-22(3)20-13-10-17-6-4-5-7-18(17)14-20/h4-9,11-12,20H,10,13-15H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 134795524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).