1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine

C14H16ClNO — CID 170891521

IUPAC1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine
SMILESCOc1c(CC(C)N)cc(Cl)c2ccccc12
InChIInChI=1S/C14H16ClNO/c1-9(16)7-10-8-13(15)11-5-3-4-6-12(11)14(10)17-2/h3-6,8-9H,7,16H2,1-2H3
InChIKeyMDWGFPGLJADHAW-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.39
Rot. Bonds3

About 1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine

1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine (PubChem CID 170891521) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine
PubChem CID170891521
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine
SMILESCOc1c(CC(C)N)cc(Cl)c2ccccc12
InChIInChI=1S/C14H16ClNO/c1-9(16)7-10-8-13(15)11-5-3-4-6-12(11)14(10)17-2/h3-6,8-9H,7,16H2,1-2H3
InChIKeyMDWGFPGLJADHAW-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170894041
1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532
[3-(2-aminopropyl)-2-methoxyphenyl]methanol
CID 117285472
1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
CID 169028862
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine
CID 117361507
1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670
1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894010
1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine?
The IUPAC name of 1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine (CID 170891521) is 1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine is COc1c(CC(C)N)cc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine?
The InChIKey is MDWGFPGLJADHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-9(16)7-10-8-13(15)11-5-3-4-6-12(11)14(10)17-2/h3-6,8-9H,7,16H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine?
1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine has a molecular weight of 249.74 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine is sourced from PubChem (CID 170891521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).