(2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

C14H21NO — CID 124705513

IUPAC(2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCN[C@H]1CCc2c(ccc(C)c2OC)C1
InChIInChI=1S/C14H21NO/c1-4-15-12-7-8-13-11(9-12)6-5-10(2)14(13)16-3/h5-6,12,15H,4,7-9H2,1-3H3/t12-/m0/s1
InChIKeyKMPXBJHMWDCZDJ-LBPRGKRZSA-N
MW219.33 g/mol
LogP2.47
Rot. Bonds3

About (2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 124705513) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID124705513
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCN[C@H]1CCc2c(ccc(C)c2OC)C1
InChIInChI=1S/C14H21NO/c1-4-15-12-7-8-13-11(9-12)6-5-10(2)14(13)16-3/h5-6,12,15H,4,7-9H2,1-3H3/t12-/m0/s1
InChIKeyKMPXBJHMWDCZDJ-LBPRGKRZSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 124705513) is (2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCN[C@H]1CCc2c(ccc(C)c2OC)C1.
What is the InChIKey of (2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is KMPXBJHMWDCZDJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15-12-7-8-13-11(9-12)6-5-10(2)14(13)16-3/h5-6,12,15H,4,7-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 124705513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).