3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine

C13H18ClN — CID 117321154

IUPAC3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
SMILESNCCCc1cc(Cl)c2c(c1)CCCC2
InChIInChI=1S/C13H18ClN/c14-13-9-10(4-3-7-15)8-11-5-1-2-6-12(11)13/h8-9H,1-7,15H2
InChIKeyXPLQAFXDOBDYOD-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.11
Rot. Bonds3

About 3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine

3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine (PubChem CID 117321154) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
PubChem CID117321154
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
SMILESNCCCc1cc(Cl)c2c(c1)CCCC2
InChIInChI=1S/C13H18ClN/c14-13-9-10(4-3-7-15)8-11-5-1-2-6-12(11)13/h8-9H,1-7,15H2
InChIKeyXPLQAFXDOBDYOD-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
CID 117324460
4-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117387867
3-(9-bromo-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)propan-1-amine
CID 82249651
4-(3-aminopropyl)-2-chloro-6-methylphenol
CID 84775581
2-(4-aminobutyl)-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117423324
3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 84690193
3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783186
4-chloro-6-(isocyanatomethyl)-2,3-dihydro-1H-indene
CID 117296989
5-(3-aminopropyl)-3-chloro-2-fluorophenol
CID 84777602
3-amino-2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117387277
2-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)ethanamine
CID 142880865
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83880247

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The IUPAC name of 3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine (CID 117321154) is 3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine is NCCCc1cc(Cl)c2c(c1)CCCC2.
What is the InChIKey of 3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The InChIKey is XPLQAFXDOBDYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c14-13-9-10(4-3-7-15)8-11-5-1-2-6-12(11)13/h8-9H,1-7,15H2.
What are the key properties of 3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine is sourced from PubChem (CID 117321154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).