(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine

C16H19NO — CID 43150794

IUPAC(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine
SMILESCOc1ccc(C(N)C2CC2C)c2ccccc12
InChIInChI=1S/C16H19NO/c1-10-9-14(10)16(17)13-7-8-15(18-2)12-6-4-3-5-11(12)13/h3-8,10,14,16H,9,17H2,1-2H3
InChIKeyVQKPSUAXDLPMQS-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.50
Rot. Bonds3

About (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine

(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine (PubChem CID 43150794) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine
PubChem CID43150794
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine
SMILESCOc1ccc(C(N)C2CC2C)c2ccccc12
InChIInChI=1S/C16H19NO/c1-10-9-14(10)16(17)13-7-8-15(18-2)12-6-4-3-5-11(12)13/h3-8,10,14,16H,9,17H2,1-2H3
InChIKeyVQKPSUAXDLPMQS-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine
CID 107177081
(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107000919
(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
CID 43150779
1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine
CID 62798863
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
1-[chloro-(2-methylcyclopropyl)methyl]-2,3,4-trimethoxybenzene
CID 61084067
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
CID 171266216
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
CID 43166668

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine?
The IUPAC name of (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine (CID 43150794) is (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine is COc1ccc(C(N)C2CC2C)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine?
The InChIKey is VQKPSUAXDLPMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-9-14(10)16(17)13-7-8-15(18-2)12-6-4-3-5-11(12)13/h3-8,10,14,16H,9,17H2,1-2H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine?
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 43150794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).