2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine

C19H31NO — CID 103273515

IUPAC2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCC(C)c1cccc(OC2(CCNC(C)(C)C)CCC2)c1
InChIInChI=1S/C19H31NO/c1-15(2)16-8-6-9-17(14-16)21-19(10-7-11-19)12-13-20-18(3,4)5/h6,8-9,14-15,20H,7,10-13H2,1-5H3
InChIKeyISLZBTHRKQLRQN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.89
Rot. Bonds6

About 2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine

2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine (PubChem CID 103273515) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine
PubChem CID103273515
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCC(C)c1cccc(OC2(CCNC(C)(C)C)CCC2)c1
InChIInChI=1S/C19H31NO/c1-15(2)16-8-6-9-17(14-16)21-19(10-7-11-19)12-13-20-18(3,4)5/h6,8-9,14-15,20H,7,10-13H2,1-5H3
InChIKeyISLZBTHRKQLRQN-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273516
[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine
CID 82131016
N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103273548
N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274125
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274444
N-[2-[1-(3-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273876
N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine
CID 103273839
2-methyl-N-[2-[1-[(2-methyl-3-pyridinyl)oxy]cyclobutyl]ethyl]propan-2-amine
CID 103274267
N-[2-(1-ethoxycyclobutyl)ethyl]-2-methylpropan-2-amine
CID 103273053
N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273388
N,2-dimethyl-2-(3-propan-2-ylphenoxy)propan-1-amine
CID 62352635

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine (CID 103273515) is 2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine is CC(C)c1cccc(OC2(CCNC(C)(C)C)CCC2)c1.
What is the InChIKey of 2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine?
The InChIKey is ISLZBTHRKQLRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)16-8-6-9-17(14-16)21-19(10-7-11-19)12-13-20-18(3,4)5/h6,8-9,14-15,20H,7,10-13H2,1-5H3.
What are the key properties of 2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine?
2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine is sourced from PubChem (CID 103273515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).