(1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C20H26N2O2 — CID 164637651

IUPAC(1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCOc1ccc(CN[C@H]2CCCc3c(OC)cccc32)cn1
InChIInChI=1S/C20H26N2O2/c1-3-12-24-20-11-10-15(14-22-20)13-21-18-8-4-7-17-16(18)6-5-9-19(17)23-2/h5-6,9-11,14,18,21H,3-4,7-8,12-13H2,1-2H3/t18-/m0/s1
InChIKeyUROYQPJKWYMQRW-SFHVURJKSA-N
MW326.44 g/mol
LogP4.05
Rot. Bonds7

About (1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 164637651) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID164637651
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCOc1ccc(CN[C@H]2CCCc3c(OC)cccc32)cn1
InChIInChI=1S/C20H26N2O2/c1-3-12-24-20-11-10-15(14-22-20)13-21-18-8-4-7-17-16(18)6-5-9-19(17)23-2/h5-6,9-11,14,18,21H,3-4,7-8,12-13H2,1-2H3/t18-/m0/s1
InChIKeyUROYQPJKWYMQRW-SFHVURJKSA-N
XLogP4.05
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 164637651) is (1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CCCOc1ccc(CN[C@H]2CCCc3c(OC)cccc32)cn1.
What is the InChIKey of (1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UROYQPJKWYMQRW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-12-24-20-11-10-15(14-22-20)13-21-18-8-4-7-17-16(18)6-5-9-19(17)23-2/h5-6,9-11,14,18,21H,3-4,7-8,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 326.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methoxy-N-[(6-propoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 164637651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).