2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine

C17H27NO — CID 79359174

IUPAC2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
SMILESCC(C)Oc1cccc(CNC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C17H27NO/c1-12(2)19-14-9-7-8-13(10-14)11-18-15-16(3,4)17(15,5)6/h7-10,12,15,18H,11H2,1-6H3
InChIKeyOSKDVLCNFPLFMI-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.00
Rot. Bonds5

About 2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine

2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 79359174) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
PubChem CID79359174
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
SMILESCC(C)Oc1cccc(CNC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C17H27NO/c1-12(2)19-14-9-7-8-13(10-14)11-18-15-16(3,4)17(15,5)6/h7-10,12,15,18H,11H2,1-6H3
InChIKeyOSKDVLCNFPLFMI-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119114791
2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine
CID 79353261
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
(1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463114
4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61212060
N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79983868
2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine
CID 103887972
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine (CID 79359174) is 2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine is CC(C)Oc1cccc(CNC2C(C)(C)C2(C)C)c1.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is OSKDVLCNFPLFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)19-14-9-7-8-13(10-14)11-18-15-16(3,4)17(15,5)6/h7-10,12,15,18H,11H2,1-6H3.
What are the key properties of 2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine?
2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 79359174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).