N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine

C13H21NO — CID 60695109

IUPACN-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine
SMILESCc1ccccc1CNCCOC(C)C
InChIInChI=1S/C13H21NO/c1-11(2)15-9-8-14-10-13-7-5-4-6-12(13)3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyGPLVXWQCLOFROA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.51
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine

N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine (PubChem CID 60695109) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine
PubChem CID60695109
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine
SMILESCc1ccccc1CNCCOC(C)C
InChIInChI=1S/C13H21NO/c1-11(2)15-9-8-14-10-13-7-5-4-6-12(13)3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyGPLVXWQCLOFROA-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-propan-2-yloxyethylamino)methyl]phenol
CID 104588313
N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588290
2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine
CID 103081199
azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527
N-[(2-methyl-3-nitrophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104760132
N-(1,3-benzodioxol-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 54957908
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730
3-chloro-4-methoxy-N-[(2-methylphenyl)methyl]butan-1-amine
CID 106242611
N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588261
2-methoxy-N-[[2-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 63809190
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836
N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658226

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine (CID 60695109) is N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine is Cc1ccccc1CNCCOC(C)C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine?
The InChIKey is GPLVXWQCLOFROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)15-9-8-14-10-13-7-5-4-6-12(13)3/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine?
N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 60695109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).