2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol

C18H29NO — CID 106252229

IUPAC2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCC(C)c2ccccc21
InChIInChI=1S/C18H29NO/c1-4-18(5-2,13-20)12-19-17-11-10-14(3)15-8-6-7-9-16(15)17/h6-9,14,17,19-20H,4-5,10-13H2,1-3H3
InChIKeyPEQDPOFNXWUWTP-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.01
Rot. Bonds6

About 2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol

2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol (PubChem CID 106252229) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol
PubChem CID106252229
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCC(C)c2ccccc21
InChIInChI=1S/C18H29NO/c1-4-18(5-2,13-20)12-19-17-11-10-14(3)15-8-6-7-9-16(15)17/h6-9,14,17,19-20H,4-5,10-13H2,1-3H3
InChIKeyPEQDPOFNXWUWTP-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol (CID 106252229) is 2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNC1CCC(C)c2ccccc21.
What is the InChIKey of 2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol?
The InChIKey is PEQDPOFNXWUWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-18(5-2,13-20)12-19-17-11-10-14(3)15-8-6-7-9-16(15)17/h6-9,14,17,19-20H,4-5,10-13H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 106252229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).