3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine

C14H13NO — CID 60801670

IUPAC3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine
SMILESCOc1ccc(C#CCN)c2ccccc12
InChIInChI=1S/C14H13NO/c1-16-14-9-8-11(5-4-10-15)12-6-2-3-7-13(12)14/h2-3,6-9H,10,15H2,1H3
InChIKeyDFKYFDDAYIUIJP-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.16
Rot. Bonds1

About 3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine

3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine (PubChem CID 60801670) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine
PubChem CID60801670
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine
SMILESCOc1ccc(C#CCN)c2ccccc12
InChIInChI=1S/C14H13NO/c1-16-14-9-8-11(5-4-10-15)12-6-2-3-7-13(12)14/h2-3,6-9H,10,15H2,1H3
InChIKeyDFKYFDDAYIUIJP-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
1,2,3-trimethoxy-4-(2-phenylethynyl)benzene
CID 101461582
3-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 62160017
1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene
CID 14147524
3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 60799775
3-(3-chloro-4-methoxyphenyl)prop-2-yn-1-amine
CID 60802193
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802368
3-(3-aminoprop-1-ynyl)-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 60845694
2-methoxy-1-[2-methoxy-5,8-bis(2-phenylethynyl)naphthalen-1-yl]-5,8-bis(2-phenylethynyl)naphthalene
CID 139963203
1-chloro-4-methoxynaphthalene
CID 606038
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
1-(3-bromoprop-1-ynyl)-2-methoxybenzene
CID 19973041

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine?
The IUPAC name of 3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine (CID 60801670) is 3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine is COc1ccc(C#CCN)c2ccccc12.
What is the InChIKey of 3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine?
The InChIKey is DFKYFDDAYIUIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-16-14-9-8-11(5-4-10-15)12-6-2-3-7-13(12)14/h2-3,6-9H,10,15H2,1H3.
What are the key properties of 3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine?
3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine has a molecular weight of 211.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine is sourced from PubChem (CID 60801670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).