1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol

C15H26N2O2 — CID 43265458

IUPAC1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol
SMILESCCN(CC(O)COc1ccccc1CN)C(C)C
InChIInChI=1S/C15H26N2O2/c1-4-17(12(2)3)10-14(18)11-19-15-8-6-5-7-13(15)9-16/h5-8,12,14,18H,4,9-11,16H2,1-3H3
InChIKeyZWLHZFBOUZXRQV-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.62
Rot. Bonds8

About 1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol

1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol (PubChem CID 43265458) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol
PubChem CID43265458
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol
SMILESCCN(CC(O)COc1ccccc1CN)C(C)C
InChIInChI=1S/C15H26N2O2/c1-4-17(12(2)3)10-14(18)11-19-15-8-6-5-7-13(15)9-16/h5-8,12,14,18H,4,9-11,16H2,1-3H3
InChIKeyZWLHZFBOUZXRQV-UHFFFAOYSA-N
XLogP1.62
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)phenoxy]-3-[cyclopropyl(ethyl)amino]propan-2-ol
CID 43263892
1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
CID 63694109
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
CID 43531496
3-[[3-[2-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
CID 106914835
1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
1-[2-(aminomethyl)phenoxy]-3-(3-methoxypropylsulfonyl)propan-2-ol
CID 64696197
(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 99732501
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
1-[2,2-diethoxyethyl(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 21416658
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93164105

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol (CID 43265458) is 1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol is CCN(CC(O)COc1ccccc1CN)C(C)C.
What is the InChIKey of 1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is ZWLHZFBOUZXRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-17(12(2)3)10-14(18)11-19-15-8-6-5-7-13(15)9-16/h5-8,12,14,18H,4,9-11,16H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol?
1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 43265458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).