2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol

C15H26N2O — CID 62307448

IUPAC2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol
SMILESCCC(CC)N(CCO)c1cc(C)ccc1CN
InChIInChI=1S/C15H26N2O/c1-4-14(5-2)17(8-9-18)15-10-12(3)6-7-13(15)11-16/h6-7,10,14,18H,4-5,8-9,11,16H2,1-3H3
InChIKeyBGPKELBXFNZFDV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.44
Rot. Bonds7

About 2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol

2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol (PubChem CID 62307448) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol
PubChem CID62307448
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol
SMILESCCC(CC)N(CCO)c1cc(C)ccc1CN
InChIInChI=1S/C15H26N2O/c1-4-14(5-2)17(8-9-18)15-10-12(3)6-7-13(15)11-16/h6-7,10,14,18H,4-5,8-9,11,16H2,1-3H3
InChIKeyBGPKELBXFNZFDV-UHFFFAOYSA-N
XLogP2.44
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol (CID 62307448) is 2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol is CCC(CC)N(CCO)c1cc(C)ccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol?
The InChIKey is BGPKELBXFNZFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-14(5-2)17(8-9-18)15-10-12(3)6-7-13(15)11-16/h6-7,10,14,18H,4-5,8-9,11,16H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol?
2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol has a molecular weight of 250.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol is sourced from PubChem (CID 62307448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).