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

C17H27NO — CID 79352429

IUPACN-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCCC(NC1C(C)(C)C1(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO/c1-7-14(12-8-10-13(19-6)11-9-12)18-15-16(2,3)17(15,4)5/h8-11,14-15,18H,7H2,1-6H3
InChIKeyTYRFBOCCPJPCQG-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds5

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

N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79352429) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79352429
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCCC(NC1C(C)(C)C1(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO/c1-7-14(12-8-10-13(19-6)11-9-12)18-15-16(2,3)17(15,4)5/h8-11,14-15,18H,7H2,1-6H3
InChIKeyTYRFBOCCPJPCQG-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine
CID 114285157
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
CID 43080624
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359265
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821
N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786632
3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine
CID 103904067
N-[1-(4-methoxyphenyl)propyl]-1-propylpiperidin-4-amine
CID 43183002
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine
CID 63359865
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
CID 43720355

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79352429) is N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine is CCC(NC1C(C)(C)C1(C)C)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is TYRFBOCCPJPCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-7-14(12-8-10-13(19-6)11-9-12)18-15-16(2,3)17(15,4)5/h8-11,14-15,18H,7H2,1-6H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.17, 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)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79352429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).