1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine

C14H14BrNO — CID 84814976

IUPAC1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine
SMILESCOc1ccc2cc(Br)ccc2c1C1(N)CC1
InChIInChI=1S/C14H14BrNO/c1-17-12-5-2-9-8-10(15)3-4-11(9)13(12)14(16)6-7-14/h2-5,8H,6-7,16H2,1H3
InChIKeyPJKYOUVMOIZDLL-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.56
Rot. Bonds2

About 1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine

1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine (PubChem CID 84814976) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine
PubChem CID84814976
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine
SMILESCOc1ccc2cc(Br)ccc2c1C1(N)CC1
InChIInChI=1S/C14H14BrNO/c1-17-12-5-2-9-8-10(15)3-4-11(9)13(12)14(16)6-7-14/h2-5,8H,6-7,16H2,1H3
InChIKeyPJKYOUVMOIZDLL-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-methoxynaphthalen-1-amine
CID 54370275
1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine
CID 117360042
1-(2,6-dimethoxy-3-methylphenyl)cyclopropan-1-amine
CID 84779676
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
CID 117327759
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967629
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol
CID 70197174
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
3-bromo-6-methoxydibenzothiophene
CID 166155743
(1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone
CID 116924286
1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 117499483

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine?
The IUPAC name of 1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine (CID 84814976) is 1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine is COc1ccc2cc(Br)ccc2c1C1(N)CC1.
What is the InChIKey of 1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine?
The InChIKey is PJKYOUVMOIZDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-17-12-5-2-9-8-10(15)3-4-11(9)13(12)14(16)6-7-14/h2-5,8H,6-7,16H2,1H3.
What are the key properties of 1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine?
1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine has a molecular weight of 292.18 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine is sourced from PubChem (CID 84814976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).