N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C13H20ClN — CID 18331742

IUPACN-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCNC1CCc2ccccc2C1.Cl
InChIInChI=1S/C13H19N.ClH/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13;/h3-6,13-14H,2,7-10H2,1H3;1H
InChIKeyWVWHOUDPFIQFCL-UHFFFAOYSA-N
MW225.76 g/mol
LogP2.97
Rot. Bonds3

About N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 18331742) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound NameN-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID18331742
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCNC1CCc2ccccc2C1.Cl
InChIInChI=1S/C13H19N.ClH/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13;/h3-6,13-14H,2,7-10H2,1H3;1H
InChIKeyWVWHOUDPFIQFCL-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 18331742) is N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CCCNC1CCc2ccccc2C1.Cl.
What is the InChIKey of N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is WVWHOUDPFIQFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13;/h3-6,13-14H,2,7-10H2,1H3;1H.
What are the key properties of N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 18331742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).