8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C16H23ClN2O2 — CID 19032679

IUPAC8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2c([N+](=O)[O-])ccc(Cl)c2C1
InChIInChI=1S/C16H23ClN2O2/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)15(17)7-8-16(13)19(20)21/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeySEJQHMZZZCASSX-UHFFFAOYSA-N
MW310.82 g/mol
LogP4.23
Rot. Bonds6

About 8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 19032679) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID19032679
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2c([N+](=O)[O-])ccc(Cl)c2C1
InChIInChI=1S/C16H23ClN2O2/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)15(17)7-8-16(13)19(20)21/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeySEJQHMZZZCASSX-UHFFFAOYSA-N
XLogP4.23
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 19032679) is 8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)C1CCc2c([N+](=O)[O-])ccc(Cl)c2C1.
What is the InChIKey of 8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is SEJQHMZZZCASSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)15(17)7-8-16(13)19(20)21/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of 8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 310.82 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 19032679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).