1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine

C14H16ClN — CID 116915298

IUPAC1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine
SMILESCc1ccc2cc(C(Cl)N(C)C)ccc2c1
InChIInChI=1S/C14H16ClN/c1-10-4-5-12-9-13(14(15)16(2)3)7-6-11(12)8-10/h4-9,14H,1-3H3
InChIKeyBSACRYBLZVGEGC-UHFFFAOYSA-N
MW233.74 g/mol
LogP3.95
Rot. Bonds2

About 1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine

1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine (PubChem CID 116915298) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine
PubChem CID116915298
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine
SMILESCc1ccc2cc(C(Cl)N(C)C)ccc2c1
InChIInChI=1S/C14H16ClN/c1-10-4-5-12-9-13(14(15)16(2)3)7-6-11(12)8-10/h4-9,14H,1-3H3
InChIKeyBSACRYBLZVGEGC-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine?
The IUPAC name of 1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine (CID 116915298) is 1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine.
What is the SMILES notation for 1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine?
The canonical SMILES for 1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine is Cc1ccc2cc(C(Cl)N(C)C)ccc2c1.
What is the InChIKey of 1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine?
The InChIKey is BSACRYBLZVGEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-10-4-5-12-9-13(14(15)16(2)3)7-6-11(12)8-10/h4-9,14H,1-3H3.
What are the key properties of 1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine?
1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine has a molecular weight of 233.74 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 116915298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).