N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine

C24H35NO2 — CID 4722968

IUPACN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
SMILESCOc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1cccc(C)c1
InChIInChI=1S/C24H35NO2/c1-18-9-8-10-20(13-18)16-27-21-12-11-19(14-22(21)26-7)15-25-24(5,6)17-23(2,3)4/h8-14,25H,15-17H2,1-7H3
InChIKeyZOCNZSGNTFICHK-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.89
Rot. Bonds8

About N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine

N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 4722968) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
PubChem CID4722968
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
SMILESCOc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1cccc(C)c1
InChIInChI=1S/C24H35NO2/c1-18-9-8-10-20(13-18)16-27-21-12-11-19(14-22(21)26-7)15-25-24(5,6)17-23(2,3)4/h8-14,25H,15-17H2,1-7H3
InChIKeyZOCNZSGNTFICHK-UHFFFAOYSA-N
XLogP5.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
CID 17294212
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
(2S)-1-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51560581
N-ethyl-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]propane-1,3-diamine
CID 17215636
N-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 43278774
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722820
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
4-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20987225
2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 92925113

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine (CID 4722968) is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine is COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1cccc(C)c1.
What is the InChIKey of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is ZOCNZSGNTFICHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-18-9-8-10-20(13-18)16-27-21-12-11-19(14-22(21)26-7)15-25-24(5,6)17-23(2,3)4/h8-14,25H,15-17H2,1-7H3.
What are the key properties of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine?
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 369.55 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 4722968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).