1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine

C19H25NO — CID 43277189

IUPAC1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO/c1-19(2,3)17-11-9-15(10-12-17)14-21-18-8-6-5-7-16(18)13-20-4/h5-12,20H,13-14H2,1-4H3
InChIKeyVSCRRZYOEJUEGN-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.28
Rot. Bonds5

About 1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine

1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 43277189) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID43277189
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO/c1-19(2,3)17-11-9-15(10-12-17)14-21-18-8-6-5-7-16(18)13-20-4/h5-12,20H,13-14H2,1-4H3
InChIKeyVSCRRZYOEJUEGN-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene
CID 60627116
1-[4-[(2-tert-butylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63496953
2-[2-[(4-tert-butylphenyl)methoxy]phenyl]acetaldehyde;ethane
CID 144777042
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17054224
2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 65341087
1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 106484727
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 834073
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331337
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 62126496
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720041

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine (CID 43277189) is 1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccccc1OCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is VSCRRZYOEJUEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-19(2,3)17-11-9-15(10-12-17)14-21-18-8-6-5-7-16(18)13-20-4/h5-12,20H,13-14H2,1-4H3.
What are the key properties of 1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine?
1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 283.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 43277189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).