1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine

C15H17NO2 — CID 117360042

IUPAC1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine
SMILESCOc1ccc2ccc(OC)c(C3(N)CC3)c2c1
InChIInChI=1S/C15H17NO2/c1-17-11-5-3-10-4-6-13(18-2)14(12(10)9-11)15(16)7-8-15/h3-6,9H,7-8,16H2,1-2H3
InChIKeyHHPYXONHMIYCMF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.80
Rot. Bonds3

About 1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine

1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine (PubChem CID 117360042) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine
PubChem CID117360042
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine
SMILESCOc1ccc2ccc(OC)c(C3(N)CC3)c2c1
InChIInChI=1S/C15H17NO2/c1-17-11-5-3-10-4-6-13(18-2)14(12(10)9-11)15(16)7-8-15/h3-6,9H,7-8,16H2,1-2H3
InChIKeyHHPYXONHMIYCMF-UHFFFAOYSA-N
XLogP2.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine
CID 84814976
1-(2,6-dimethoxy-3-methylphenyl)cyclopropan-1-amine
CID 84779676
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
CID 117327759
2-(2,7-dimethoxynaphthalen-1-yl)ethanamine
CID 10399005
1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine
CID 84809508
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 20715432
1,3,7-trimethoxynaphthalene
CID 102088907
4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine
CID 117402236
1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
CID 105483868
1-[3-(4-methoxyphenyl)phenyl]cyclopropan-1-amine
CID 167713468
6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
CID 122386604
methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate
CID 117442178

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine?
The IUPAC name of 1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine (CID 117360042) is 1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine is COc1ccc2ccc(OC)c(C3(N)CC3)c2c1.
What is the InChIKey of 1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine?
The InChIKey is HHPYXONHMIYCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-17-11-5-3-10-4-6-13(18-2)14(12(10)9-11)15(16)7-8-15/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of 1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine?
1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine is sourced from PubChem (CID 117360042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).