1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine

C15H23NO — CID 82720731

IUPAC1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCc1ccc(C(NOC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C15H23NO/c1-11-5-7-12(8-6-11)14(13-9-10-13)16-17-15(2,3)4/h5-8,13-14,16H,9-10H2,1-4H3
InChIKeyXWDWADYDRUAGPE-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.77
Rot. Bonds4

About 1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine

1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine (PubChem CID 82720731) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
PubChem CID82720731
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCc1ccc(C(NOC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C15H23NO/c1-11-5-7-12(8-6-11)14(13-9-10-13)16-17-15(2,3)4/h5-8,13-14,16H,9-10H2,1-4H3
InChIKeyXWDWADYDRUAGPE-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.77
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

N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate
CID 43787162
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
CID 43773888
tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 24625912
N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43758900
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide
CID 115576043
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 43764004
N-[cyclopropyl-(4-methylphenyl)methyl]pent-1-yn-3-amine
CID 114160632
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The IUPAC name of 1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine (CID 82720731) is 1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The canonical SMILES for 1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine is Cc1ccc(C(NOC(C)(C)C)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The InChIKey is XWDWADYDRUAGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-7-12(8-6-11)14(13-9-10-13)16-17-15(2,3)4/h5-8,13-14,16H,9-10H2,1-4H3.
What are the key properties of 1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine has a molecular weight of 233.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine is sourced from PubChem (CID 82720731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).