3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine

C18H31NO — CID 154680617

IUPAC3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCCc1cc(OC(C)C)c(C)cc1C
InChIInChI=1S/C18H31NO/c1-7-10-19(6)11-8-9-17-13-18(20-14(2)3)16(5)12-15(17)4/h12-14H,7-11H2,1-6H3
InChIKeyKPDOOCQZDCPOMJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.37
Rot. Bonds8

About 3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine

3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine (PubChem CID 154680617) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine
PubChem CID154680617
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCCc1cc(OC(C)C)c(C)cc1C
InChIInChI=1S/C18H31NO/c1-7-10-19(6)11-8-9-17-13-18(20-14(2)3)16(5)12-15(17)4/h12-14H,7-11H2,1-6H3
InChIKeyKPDOOCQZDCPOMJ-UHFFFAOYSA-N
XLogP4.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine (CID 154680617) is 3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine is CCCN(C)CCCc1cc(OC(C)C)c(C)cc1C.
What is the InChIKey of 3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine?
The InChIKey is KPDOOCQZDCPOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-10-19(6)11-8-9-17-13-18(20-14(2)3)16(5)12-15(17)4/h12-14H,7-11H2,1-6H3.
What are the key properties of 3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine?
3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-5-propan-2-yloxyphenyl)-N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 154680617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).