N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine

C21H31NO2 — CID 29225745

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine
SMILESCCCOc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1OC
InChIInChI=1S/C21H31NO2/c1-3-6-24-19-5-4-14(12-20(19)23-2)13-22-21-17-8-15-7-16(10-17)11-18(21)9-15/h4-5,12,15-18,21-22H,3,6-11,13H2,1-2H3
InChIKeyCYLVOGMXDYAXCF-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.40
Rot. Bonds7

About N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine

N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine (PubChem CID 29225745) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine
PubChem CID29225745
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine
SMILESCCCOc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1OC
InChIInChI=1S/C21H31NO2/c1-3-6-24-19-5-4-14(12-20(19)23-2)13-22-21-17-8-15-7-16(10-17)11-18(21)9-15/h4-5,12,15-18,21-22H,3,6-11,13H2,1-2H3
InChIKeyCYLVOGMXDYAXCF-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-adamantylamino)methyl]-2-methoxyphenol
CID 43221925
2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
CID 1017360
N-[(4-methoxy-3-methylphenyl)methyl]adamantan-2-amine;oxalic acid
CID 17367800
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 54848890
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
3-bromo-N-[(3-methoxy-4-propoxyphenyl)methyl]adamantane-1-carboxamide
CID 55632666
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 110932531
2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol
CID 111466387

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine (CID 29225745) is N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine is CCCOc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine?
The InChIKey is CYLVOGMXDYAXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-3-6-24-19-5-4-14(12-20(19)23-2)13-22-21-17-8-15-7-16(10-17)11-18(21)9-15/h4-5,12,15-18,21-22H,3,6-11,13H2,1-2H3.
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine?
N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine has a molecular weight of 329.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine is sourced from PubChem (CID 29225745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).