N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine

C14H23NO — CID 82719677

IUPACN-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CNOC(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)13-8-6-12(7-9-13)10-15-16-14(3,4)5/h6-9,11,15H,10H2,1-5H3
InChIKeyLKCHKAWBJKSXIQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.63
Rot. Bonds4

About N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine

N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 82719677) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine
PubChem CID82719677
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CNOC(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)13-8-6-12(7-9-13)10-15-16-14(3,4)5/h6-9,11,15H,10H2,1-5H3
InChIKeyLKCHKAWBJKSXIQ-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720815
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106328140
2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid
CID 103261398
N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline
CID 82720600
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
2-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 112605367
2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115131859
3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 65039298
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine (CID 82719677) is N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(CNOC(C)(C)C)cc1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is LKCHKAWBJKSXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)13-8-6-12(7-9-13)10-15-16-14(3,4)5/h6-9,11,15H,10H2,1-5H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine?
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 221.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 82719677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).