1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine

C20H21NO — CID 44590780

IUPAC1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine
SMILESCC(N)Cc1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C20H21NO/c1-15(21)11-17-7-8-19-13-20(10-9-18(19)12-17)22-14-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14,21H2,1H3
InChIKeyKDDLNYYBHKHYRE-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.31
Rot. Bonds5

About 1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine

1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine (PubChem CID 44590780) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine
PubChem CID44590780
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine
SMILESCC(N)Cc1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C20H21NO/c1-15(21)11-17-7-8-19-13-20(10-9-18(19)12-17)22-14-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14,21H2,1H3
InChIKeyKDDLNYYBHKHYRE-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine?
The IUPAC name of 1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine (CID 44590780) is 1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine?
The canonical SMILES for 1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine is CC(N)Cc1ccc2cc(OCc3ccccc3)ccc2c1.
What is the InChIKey of 1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine?
The InChIKey is KDDLNYYBHKHYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-15(21)11-17-7-8-19-13-20(10-9-18(19)12-17)22-14-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14,21H2,1H3.
What are the key properties of 1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine?
1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine has a molecular weight of 291.39 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylmethoxynaphthalen-2-yl)propan-2-amine is sourced from PubChem (CID 44590780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).