N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine

C16H21N — CID 1388399

IUPACN-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine
SMILESCCN(CC)Cc1cc2ccccc2cc1C
InChIInChI=1S/C16H21N/c1-4-17(5-2)12-16-11-15-9-7-6-8-14(15)10-13(16)3/h6-11H,4-5,12H2,1-3H3
InChIKeyPSUOFDPJLBZBNV-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.99
Rot. Bonds4

About N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine

N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine (PubChem CID 1388399) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine
PubChem CID1388399
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine
SMILESCCN(CC)Cc1cc2ccccc2cc1C
InChIInChI=1S/C16H21N/c1-4-17(5-2)12-16-11-15-9-7-6-8-14(15)10-13(16)3/h6-11H,4-5,12H2,1-3H3
InChIKeyPSUOFDPJLBZBNV-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine (CID 1388399) is N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine is CCN(CC)Cc1cc2ccccc2cc1C.
What is the InChIKey of N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine?
The InChIKey is PSUOFDPJLBZBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-4-17(5-2)12-16-11-15-9-7-6-8-14(15)10-13(16)3/h6-11H,4-5,12H2,1-3H3.
What are the key properties of N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine?
N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine has a molecular weight of 227.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine is sourced from PubChem (CID 1388399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).