1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine

C14H21NO — CID 65167390

IUPAC1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCc1cccc(C(N)CCC2CCCO2)c1
InChIInChI=1S/C14H21NO/c1-11-4-2-5-12(10-11)14(15)8-7-13-6-3-9-16-13/h2,4-5,10,13-14H,3,6-9,15H2,1H3
InChIKeyQCMAZUXGDLNMLQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine

1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65167390) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID65167390
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCc1cccc(C(N)CCC2CCCO2)c1
InChIInChI=1S/C14H21NO/c1-11-4-2-5-12(10-11)14(15)8-7-13-6-3-9-16-13/h2,4-5,10,13-14H,3,6-9,15H2,1H3
InChIKeyQCMAZUXGDLNMLQ-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-4-(oxolan-2-yl)butanoic acid
CID 79436331
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041
1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
CID 104993455
1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993670
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65376730
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine
CID 107291454
N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66087004
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine (CID 65167390) is 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine is Cc1cccc(C(N)CCC2CCCO2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is QCMAZUXGDLNMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-2-5-12(10-11)14(15)8-7-13-6-3-9-16-13/h2,4-5,10,13-14H,3,6-9,15H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine?
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65167390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).