N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine

C17H27NO — CID 65328260

IUPACN-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)C1CCCO1
InChIInChI=1S/C17H27NO/c1-4-9-18-16(17-6-5-10-19-17)12-15-8-7-13(2)14(3)11-15/h7-8,11,16-18H,4-6,9-10,12H2,1-3H3
InChIKeyJICFBKFHTRHANP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine

N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine (PubChem CID 65328260) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
PubChem CID65328260
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)C1CCCO1
InChIInChI=1S/C17H27NO/c1-4-9-18-16(17-6-5-10-19-17)12-15-8-7-13(2)14(3)11-15/h7-8,11,16-18H,4-6,9-10,12H2,1-3H3
InChIKeyJICFBKFHTRHANP-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328765
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736
2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328912
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093851
N-[2-(5-bromo-2-pyridinyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105036459
N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328369
N-[2-(2-bromo-4-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843320
(1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine
CID 125486090
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine (CID 65328260) is N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)c(C)c1)C1CCCO1.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is JICFBKFHTRHANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-9-18-16(17-6-5-10-19-17)12-15-8-7-13(2)14(3)11-15/h7-8,11,16-18H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65328260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).