1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine

C14H20ClNO — CID 104993670

IUPAC1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCc1ccc(Cl)cc1C(N)CCC1CCCO1
InChIInChI=1S/C14H20ClNO/c1-10-4-5-11(15)9-13(10)14(16)7-6-12-3-2-8-17-12/h4-5,9,12,14H,2-3,6-8,16H2,1H3
InChIKeySDGNRUZRVSYGBJ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.61
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine

1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104993670) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID104993670
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCc1ccc(Cl)cc1C(N)CCC1CCCO1
InChIInChI=1S/C14H20ClNO/c1-10-4-5-11(15)9-13(10)14(16)7-6-12-3-2-8-17-12/h4-5,9,12,14H,2-3,6-8,16H2,1H3
InChIKeySDGNRUZRVSYGBJ-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314404
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104789721
[1-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041
1-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104546060
[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314231
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65164610
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953738
2-[3-chloro-3-(2,4-dichlorophenyl)propyl]oxane
CID 63951587

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine (CID 104993670) is 1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine is Cc1ccc(Cl)cc1C(N)CCC1CCCO1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is SDGNRUZRVSYGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-4-5-11(15)9-13(10)14(16)7-6-12-3-2-8-17-12/h4-5,9,12,14H,2-3,6-8,16H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine?
1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104993670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).