N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine

C18H21N — CID 42601649

IUPACN,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1CCc2ccccc2C1c1ccccc1
InChIInChI=1S/C18H21N/c1-19(2)17-13-12-14-8-6-7-11-16(14)18(17)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
InChIKeyNLOSPVRQRDAXEJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.69
Rot. Bonds2

About N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine

N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 42601649) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID42601649
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1CCc2ccccc2C1c1ccccc1
InChIInChI=1S/C18H21N/c1-19(2)17-13-12-14-8-6-7-11-16(14)18(17)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
InChIKeyNLOSPVRQRDAXEJ-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 42601649) is N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)C1CCc2ccccc2C1c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is NLOSPVRQRDAXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-19(2)17-13-12-14-8-6-7-11-16(14)18(17)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 42601649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).