1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine

C13H17N — CID 21062977

IUPAC1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=Cc2ccccc2CC1
InChIInChI=1S/C13H17N/c1-14(2)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-6,9H,7-8,10H2,1-2H3
InChIKeyLKBPFHQXRACWAQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.58
Rot. Bonds2

About 1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine

1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine (PubChem CID 21062977) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine
PubChem CID21062977
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=Cc2ccccc2CC1
InChIInChI=1S/C13H17N/c1-14(2)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-6,9H,7-8,10H2,1-2H3
InChIKeyLKBPFHQXRACWAQ-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine (CID 21062977) is 1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine is CN(C)CC1=Cc2ccccc2CC1.
What is the InChIKey of 1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine?
The InChIKey is LKBPFHQXRACWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-14(2)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine?
1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine has a molecular weight of 187.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 21062977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).