1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine

C11H15ClN2 — CID 88876008

IUPAC1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCN(C)c1ccc2c(c1)CCCN2Cl
InChIInChI=1S/C11H15ClN2/c1-13(2)10-5-6-11-9(8-10)4-3-7-14(11)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKYYRZJNLORDBFC-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.66
Rot. Bonds1

About 1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine

1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 88876008) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine
PubChem CID88876008
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCN(C)c1ccc2c(c1)CCCN2Cl
InChIInChI=1S/C11H15ClN2/c1-13(2)10-5-6-11-9(8-10)4-3-7-14(11)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKYYRZJNLORDBFC-UHFFFAOYSA-N
XLogP2.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine (CID 88876008) is 1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine is CN(C)c1ccc2c(c1)CCCN2Cl.
What is the InChIKey of 1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is KYYRZJNLORDBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-13(2)10-5-6-11-9(8-10)4-3-7-14(11)12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine?
1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 210.71 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethyl-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 88876008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).