(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine

C17H19N — CID 10060088

IUPAC(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H19N/c1-18-15-11-14-9-5-6-10-16(14)17(12-15)13-7-3-2-4-8-13/h2-10,15,17-18H,11-12H2,1H3/t15-,17-/m1/s1
InChIKeyHLOCJJORRHQDKS-NVXWUHKLSA-N
MW237.35 g/mol
LogP3.35
Rot. Bonds2

About (2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10060088) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10060088
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H19N/c1-18-15-11-14-9-5-6-10-16(14)17(12-15)13-7-3-2-4-8-13/h2-10,15,17-18H,11-12H2,1H3/t15-,17-/m1/s1
InChIKeyHLOCJJORRHQDKS-NVXWUHKLSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10060088) is (2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HLOCJJORRHQDKS-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H19N/c1-18-15-11-14-9-5-6-10-16(14)17(12-15)13-7-3-2-4-8-13/h2-10,15,17-18H,11-12H2,1H3/t15-,17-/m1/s1.
What are the key properties of (2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 237.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10060088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).