(1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine

C21H22N2O — CID 66550514

IUPAC(1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine
SMILESC[C@@H](NCC1CNc2ccccc2O1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O/c1-15(18-10-6-8-16-7-2-3-9-19(16)18)22-13-17-14-23-20-11-4-5-12-21(20)24-17/h2-12,15,17,22-23H,13-14H2,1H3/t15-,17?/m1/s1
InChIKeyDNGLQEMRGJGPHF-LDCVWXEPSA-N
MW318.42 g/mol
LogP4.36
Rot. Bonds4

About (1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine

(1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine (PubChem CID 66550514) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine
PubChem CID66550514
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine
SMILESC[C@@H](NCC1CNc2ccccc2O1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O/c1-15(18-10-6-8-16-7-2-3-9-19(16)18)22-13-17-14-23-20-11-4-5-12-21(20)24-17/h2-12,15,17,22-23H,13-14H2,1H3/t15-,17?/m1/s1
InChIKeyDNGLQEMRGJGPHF-LDCVWXEPSA-N
XLogP4.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine (CID 66550514) is (1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine is C[C@@H](NCC1CNc2ccccc2O1)c1cccc2ccccc12.
What is the InChIKey of (1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine?
The InChIKey is DNGLQEMRGJGPHF-LDCVWXEPSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15(18-10-6-8-16-7-2-3-9-19(16)18)22-13-17-14-23-20-11-4-5-12-21(20)24-17/h2-12,15,17,22-23H,13-14H2,1H3/t15-,17?/m1/s1.
What are the key properties of (1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine?
(1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine has a molecular weight of 318.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 66550514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).