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

C17H27NO — CID 79353261

IUPAC2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine
SMILESCCCOc1cccc(CNC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C17H27NO/c1-6-10-19-14-9-7-8-13(11-14)12-18-15-16(2,3)17(15,4)5/h7-9,11,15,18H,6,10,12H2,1-5H3
InChIKeyFQYAYQGTDTUXDD-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.00
Rot. Bonds6

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

2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 79353261) 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-propoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID79353261
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine
SMILESCCCOc1cccc(CNC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C17H27NO/c1-6-10-19-14-9-7-8-13(11-14)12-18-15-16(2,3)17(15,4)5/h7-9,11,15,18H,6,10,12H2,1-5H3
InChIKeyFQYAYQGTDTUXDD-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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CID 29222103
2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 79359174
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783
2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine
CID 83006521
2-(hydroxymethyl)-2-[(3-propoxyphenyl)methylamino]propane-1,3-diol
CID 107850468
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline
CID 65467770
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
N-[(3-propoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958213
N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
CID 64866845

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine (CID 79353261) is 2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine is CCCOc1cccc(CNC2C(C)(C)C2(C)C)c1.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is FQYAYQGTDTUXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-10-19-14-9-7-8-13(11-14)12-18-15-16(2,3)17(15,4)5/h7-9,11,15,18H,6,10,12H2,1-5H3.
What are the key properties of 2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine?
2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.00, 6 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-propoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 79353261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).