N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine

C21H23NO — CID 44590782

IUPACN-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine
SMILESCOc1ccc2cc(CC(C)NCc3ccccc3)ccc2c1
InChIInChI=1S/C21H23NO/c1-16(22-15-17-6-4-3-5-7-17)12-18-8-9-20-14-21(23-2)11-10-19(20)13-18/h3-11,13-14,16,22H,12,15H2,1-2H3
InChIKeyKYXRSMFSOLANEF-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.57
Rot. Bonds6

About N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine

N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine (PubChem CID 44590782) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine
PubChem CID44590782
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine
SMILESCOc1ccc2cc(CC(C)NCc3ccccc3)ccc2c1
InChIInChI=1S/C21H23NO/c1-16(22-15-17-6-4-3-5-7-17)12-18-8-9-20-14-21(23-2)11-10-19(20)13-18/h3-11,13-14,16,22H,12,15H2,1-2H3
InChIKeyKYXRSMFSOLANEF-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine?
The IUPAC name of N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine (CID 44590782) is N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine.
What is the SMILES notation for N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine?
The canonical SMILES for N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine is COc1ccc2cc(CC(C)NCc3ccccc3)ccc2c1.
What is the InChIKey of N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine?
The InChIKey is KYXRSMFSOLANEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-16(22-15-17-6-4-3-5-7-17)12-18-8-9-20-14-21(23-2)11-10-19(20)13-18/h3-11,13-14,16,22H,12,15H2,1-2H3.
What are the key properties of N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine?
N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine has a molecular weight of 305.42 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(6-methoxynaphthalen-2-yl)propan-2-amine is sourced from PubChem (CID 44590782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).