(4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium

C19H26NO+ — CID 6944223

IUPAC(4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
SMILESCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c2ccccc12
InChIInChI=1S/C19H25NO/c1-14-7-3-6-10-18(14)20-13-15-11-12-19(21-2)17-9-5-4-8-16(15)17/h4-5,8-9,11-12,14,18,20H,3,6-7,10,13H2,1-2H3/p+1/t14-,18+/m0/s1
InChIKeyGMTJIBVWBOAREF-KBXCAEBGSA-O
MW284.42 g/mol
LogP3.49
Rot. Bonds4

About (4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium

(4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium (PubChem CID 6944223) has the molecular formula C19H26NO+ and a molecular weight of 284.42 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
PubChem CID6944223
Molecular FormulaC19H26NO+
Molecular Weight284.42 g/mol
Exact Mass284.20
IUPAC Name(4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
SMILESCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c2ccccc12
InChIInChI=1S/C19H25NO/c1-14-7-3-6-10-18(14)20-13-15-11-12-19(21-2)17-9-5-4-8-16(15)17/h4-5,8-9,11-12,14,18,20H,3,6-7,10,13H2,1-2H3/p+1/t14-,18+/m0/s1
InChIKeyGMTJIBVWBOAREF-KBXCAEBGSA-O
XLogP3.49
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(2-methoxyphenyl)methyl]azanium
CID 8004670
(4-methoxy-3-methylphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
CID 7071650
(4-methoxy-3-methylphenyl)methyl-[(1S,2S)-2-methylcyclohexyl]azanium
CID 7071651
cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium
CID 6941897
(3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
CID 2237741
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methyl-[(1R,2R)-2-methylcyclohexyl]azanium
CID 2236098
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
CID 2236096
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
(3,4-dimethoxyphenyl)methyl-[(1R,2R,3R)-2,3-dimethylcyclohexyl]azanium
CID 11920159
N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671454
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-amine
CID 67702775

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium?
The IUPAC name of (4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium (CID 6944223) is (4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium?
The canonical SMILES for (4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium is COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium?
The InChIKey is GMTJIBVWBOAREF-KBXCAEBGSA-O. The full InChI is InChI=1S/C19H25NO/c1-14-7-3-6-10-18(14)20-13-15-11-12-19(21-2)17-9-5-4-8-16(15)17/h4-5,8-9,11-12,14,18,20H,3,6-7,10,13H2,1-2H3/p+1/t14-,18+/m0/s1.
What are the key properties of (4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium?
(4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium has a molecular weight of 284.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium is sourced from PubChem (CID 6944223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).