1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine

C13H12ClN — CID 105471892

IUPAC1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine
SMILESNC1(c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C13H12ClN/c14-12-4-2-9-7-11(13(15)5-6-13)3-1-10(9)8-12/h1-4,7-8H,5-6,15H2
InChIKeyCXBNYCSHMXBYMB-UHFFFAOYSA-N
MW217.70 g/mol
LogP3.44
Rot. Bonds1

About 1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine

1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine (PubChem CID 105471892) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is 1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine
PubChem CID105471892
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC Name1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine
SMILESNC1(c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C13H12ClN/c14-12-4-2-9-7-11(13(15)5-6-13)3-1-10(9)8-12/h1-4,7-8H,5-6,15H2
InChIKeyCXBNYCSHMXBYMB-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-naphthalen-2-ylcyclopropan-1-amine
CID 12982597
[1-(6-chloronaphthalen-2-yl)cyclopropyl]methanamine
CID 105490366
3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine
CID 80705364
1-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 47002947
1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 167713457
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde
CID 105488768
1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride
CID 141236937
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
1-(7-fluoronaphthalen-2-yl)cyclopentan-1-amine
CID 105486924
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 170897906
4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline
CID 84781395

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine?
The IUPAC name of 1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine (CID 105471892) is 1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine is NC1(c2ccc3cc(Cl)ccc3c2)CC1.
What is the InChIKey of 1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine?
The InChIKey is CXBNYCSHMXBYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN/c14-12-4-2-9-7-11(13(15)5-6-13)3-1-10(9)8-12/h1-4,7-8H,5-6,15H2.
What are the key properties of 1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine?
1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine has a molecular weight of 217.70 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 105471892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).