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

C18H21N — CID 63821740

IUPACN,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CC(C)C(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H21N/c1-13-12-17(19-2)15-10-6-7-11-16(15)18(13)14-8-4-3-5-9-14/h3-11,13,17-19H,12H2,1-2H3
InChIKeyDEVWJYMDXZMXNU-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.12
Rot. Bonds2

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

N,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63821740) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63821740
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CC(C)C(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H21N/c1-13-12-17(19-2)15-10-6-7-11-16(15)18(13)14-8-4-3-5-9-14/h3-11,13,17-19H,12H2,1-2H3
InChIKeyDEVWJYMDXZMXNU-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63821740) is N,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CC(C)C(c2ccccc2)c2ccccc21.
What is the InChIKey of N,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DEVWJYMDXZMXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-12-17(19-2)15-10-6-7-11-16(15)18(13)14-8-4-3-5-9-14/h3-11,13,17-19H,12H2,1-2H3.
What are the key properties of N,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63821740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).