1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine

C16H25NO — CID 113362150

IUPAC1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
SMILESCCc1ccc(CC(CC2CCOC2)NC)cc1
InChIInChI=1S/C16H25NO/c1-3-13-4-6-14(7-5-13)10-16(17-2)11-15-8-9-18-12-15/h4-7,15-17H,3,8-12H2,1-2H3
InChIKeyMBCXFUAQBJWMSV-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.81
Rot. Bonds6

About 1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine

1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine (PubChem CID 113362150) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
PubChem CID113362150
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
SMILESCCc1ccc(CC(CC2CCOC2)NC)cc1
InChIInChI=1S/C16H25NO/c1-3-13-4-6-14(7-5-13)10-16(17-2)11-15-8-9-18-12-15/h4-7,15-17H,3,8-12H2,1-2H3
InChIKeyMBCXFUAQBJWMSV-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987071
1-(5-ethyl-2-pyridinyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987022
1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362112
1-(4-ethylphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986414
1-cyclohexyl-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 115802880
1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362149
1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 103546450
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987074
N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146
N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103987072
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
N-methyl-1-naphthalen-2-yl-3-(oxan-4-yl)propan-2-amine
CID 105138718

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine (CID 113362150) is 1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine is CCc1ccc(CC(CC2CCOC2)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is MBCXFUAQBJWMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-4-6-14(7-5-13)10-16(17-2)11-15-8-9-18-12-15/h4-7,15-17H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 113362150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).