(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine

C17H21NO — CID 107000919

IUPAC(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc(C(N)C2CC2(C)C)c2ccccc12
InChIInChI=1S/C17H21NO/c1-17(2)10-14(17)16(18)13-8-9-15(19-3)12-7-5-4-6-11(12)13/h4-9,14,16H,10,18H2,1-3H3
InChIKeyZCYOOWISQFBRRM-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.89
Rot. Bonds3

About (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine

(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine (PubChem CID 107000919) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine
PubChem CID107000919
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc(C(N)C2CC2(C)C)c2ccccc12
InChIInChI=1S/C17H21NO/c1-17(2)10-14(17)16(18)13-8-9-15(19-3)12-7-5-4-6-11(12)13/h4-9,14,16H,10,18H2,1-3H3
InChIKeyZCYOOWISQFBRRM-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107002440
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine
CID 43150794
(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine
CID 107177081
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001396
(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
CID 43150779
1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine
CID 62798863
(2,2-dimethylcyclopentyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107181495
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387
(2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 107004373
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine?
The IUPAC name of (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine (CID 107000919) is (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine is COc1ccc(C(N)C2CC2(C)C)c2ccccc12.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine?
The InChIKey is ZCYOOWISQFBRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2)10-14(17)16(18)13-8-9-15(19-3)12-7-5-4-6-11(12)13/h4-9,14,16H,10,18H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine?
(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine is sourced from PubChem (CID 107000919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).