1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol

C13H18ClNO — CID 117352252

IUPAC1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(N)Cc1c(O)c(Cl)cc2c1CCCC2
InChIInChI=1S/C13H18ClNO/c1-8(15)6-11-10-5-3-2-4-9(10)7-12(14)13(11)16/h7-8,16H,2-6,15H2,1H3
InChIKeyFPDBONFJVCZVHP-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.81
Rot. Bonds2

About 1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol

1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117352252) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117352252
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(N)Cc1c(O)c(Cl)cc2c1CCCC2
InChIInChI=1S/C13H18ClNO/c1-8(15)6-11-10-5-3-2-4-9(10)7-12(14)13(11)16/h7-8,16H,2-6,15H2,1H3
InChIKeyFPDBONFJVCZVHP-UHFFFAOYSA-N
XLogP2.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117425398
4-(2-amino-2-methylpropyl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117423448
2-chloro-4-(3-hydroxypropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117390166
4-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117387867
3-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 84668554
3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117390115
4-(1-aminocyclopropyl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117382858
2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117474191
2-[1-(1-aminoethyl)cyclopropyl]-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117449103
4-(2-aminopropyl)-3-chloro-5-methylbenzene-1,2-diol
CID 117307437
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 117388146
2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
CID 117392843

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117352252) is 1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol is CC(N)Cc1c(O)c(Cl)cc2c1CCCC2.
What is the InChIKey of 1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is FPDBONFJVCZVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8(15)6-11-10-5-3-2-4-9(10)7-12(14)13(11)16/h7-8,16H,2-6,15H2,1H3.
What are the key properties of 1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol?
1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 239.75 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117352252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).