N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine

C18H29NO — CID 115844160

IUPACN-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
SMILESCNC(CCC1CCCO1)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H29NO/c1-14(2)16-8-6-15(7-9-16)13-17(19-3)10-11-18-5-4-12-20-18/h6-9,14,17-19H,4-5,10-13H2,1-3H3
InChIKeyPQQYRNGZBYBERT-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.90
Rot. Bonds7

About N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine

N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine (PubChem CID 115844160) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
PubChem CID115844160
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
SMILESCNC(CCC1CCCO1)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H29NO/c1-14(2)16-8-6-15(7-9-16)13-17(19-3)10-11-18-5-4-12-20-18/h6-9,14,17-19H,4-5,10-13H2,1-3H3
InChIKeyPQQYRNGZBYBERT-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
1-(3-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 82805857
N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine
CID 105025317
N-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylaniline
CID 63182100
N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105014941
1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
CID 6462943
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168
1-(4-bromo-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115844482
1-(2-bromo-5-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115843578
1-(2-bromo-3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105020405

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine?
The IUPAC name of N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine (CID 115844160) is N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine?
The canonical SMILES for N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine is CNC(CCC1CCCO1)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine?
The InChIKey is PQQYRNGZBYBERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)16-8-6-15(7-9-16)13-17(19-3)10-11-18-5-4-12-20-18/h6-9,14,17-19H,4-5,10-13H2,1-3H3.
What are the key properties of N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine?
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine is sourced from PubChem (CID 115844160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).