5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

C13H18ClN — CID 14969231

IUPAC5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCNC1CCc2c(Cl)cccc2C1
InChIInChI=1S/C13H18ClN/c1-2-8-15-11-6-7-12-10(9-11)4-3-5-13(12)14/h3-5,11,15H,2,6-9H2,1H3
InChIKeyHFRGZLDPZNUNPM-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.20
Rot. Bonds3

About 5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 14969231) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID14969231
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCNC1CCc2c(Cl)cccc2C1
InChIInChI=1S/C13H18ClN/c1-2-8-15-11-6-7-12-10(9-11)4-3-5-13(12)14/h3-5,11,15H,2,6-9H2,1H3
InChIKeyHFRGZLDPZNUNPM-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-5-fluoro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10679847
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
5-chloro-N-cyclopropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 83838580
N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 19773305
6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 12581171
N-methyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836546
4-chloro-N-ethyl-2,3-dihydro-1H-inden-2-amine
CID 23396987
6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 23635117
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635993
7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 15379738

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 14969231) is 5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCNC1CCc2c(Cl)cccc2C1.
What is the InChIKey of 5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HFRGZLDPZNUNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-2-8-15-11-6-7-12-10(9-11)4-3-5-13(12)14/h3-5,11,15H,2,6-9H2,1H3.
What are the key properties of 5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 223.75 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 14969231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).