N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine

C17H27NO — CID 79359265

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCOc1ccc(CC(C)NC2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C17H27NO/c1-12(18-15-16(2,3)17(15,4)5)11-13-7-9-14(19-6)10-8-13/h7-10,12,15,18H,11H2,1-6H3
InChIKeyDBMJDXFZAUNIBY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine

N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79359265) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79359265
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCOc1ccc(CC(C)NC2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C17H27NO/c1-12(18-15-16(2,3)17(15,4)5)11-13-7-9-14(19-6)10-8-13/h7-10,12,15,18H,11H2,1-6H3
InChIKeyDBMJDXFZAUNIBY-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
1-(4-methoxyphenyl)propan-2-ylhydrazine;dihydrochloride
CID 70058414
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79352429
1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine
CID 71316455
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
CID 43508797
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
N-ethyl-2-(4-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66477674

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79359265) is N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine is COc1ccc(CC(C)NC2C(C)(C)C2(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is DBMJDXFZAUNIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(18-15-16(2,3)17(15,4)5)11-13-7-9-14(19-6)10-8-13/h7-10,12,15,18H,11H2,1-6H3.
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79359265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).