2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol

C16H27NO3 — CID 61056737

IUPAC2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol
SMILESCCCOc1ccc(C(C)(CO)NC)cc1OCCC
InChIInChI=1S/C16H27NO3/c1-5-9-19-14-8-7-13(16(3,12-18)17-4)11-15(14)20-10-6-2/h7-8,11,17-18H,5-6,9-10,12H2,1-4H3
InChIKeyHZNULJWZWCOYQH-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.69
Rot. Bonds9

About 2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol

2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol (PubChem CID 61056737) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol
PubChem CID61056737
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol
SMILESCCCOc1ccc(C(C)(CO)NC)cc1OCCC
InChIInChI=1S/C16H27NO3/c1-5-9-19-14-8-7-13(16(3,12-18)17-4)11-15(14)20-10-6-2/h7-8,11,17-18H,5-6,9-10,12H2,1-4H3
InChIKeyHZNULJWZWCOYQH-UHFFFAOYSA-N
XLogP2.69
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
CID 79837807
2-amino-2-(3,4-dipropoxyphenyl)propanamide
CID 60795322
2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine
CID 80605959
2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine
CID 63897713
5-tert-butyl-N-methyl-2-propoxyaniline
CID 82264393
3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol
CID 65234980
4-tert-butyl-1,2-bis(3-chloropropoxy)benzene
CID 13295778
2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol
CID 106810358
3,4-dipropoxybenzenethiol
CID 28939740
[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
CID 8537066
1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
CID 82264401
N-butyl-3,4-dipropoxyaniline
CID 83961551

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol?
The IUPAC name of 2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol (CID 61056737) is 2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol is CCCOc1ccc(C(C)(CO)NC)cc1OCCC.
What is the InChIKey of 2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol?
The InChIKey is HZNULJWZWCOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-9-19-14-8-7-13(16(3,12-18)17-4)11-15(14)20-10-6-2/h7-8,11,17-18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol?
2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 61056737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).