1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol

C17H21NO3 — CID 43531505

IUPAC1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)COc1ccc(CN)cc1
InChIInChI=1S/C17H21NO3/c1-13-4-2-3-5-17(13)21-12-15(19)11-20-16-8-6-14(10-18)7-9-16/h2-9,15,19H,10-12,18H2,1H3
InChIKeyXWVBGCXZMJSRKL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.27
Rot. Bonds7

About 1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol

1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 43531505) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol
PubChem CID43531505
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)COc1ccc(CN)cc1
InChIInChI=1S/C17H21NO3/c1-13-4-2-3-5-17(13)21-12-15(19)11-20-16-8-6-14(10-18)7-9-16/h2-9,15,19H,10-12,18H2,1H3
InChIKeyXWVBGCXZMJSRKL-UHFFFAOYSA-N
XLogP2.27
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
CID 76969657
1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol
CID 43531526
1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
CID 63685060
1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol
CID 43531533
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] nitrate
CID 177494684
[2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride
CID 138396991
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 24717275
1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol
CID 43531580
dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
CID 5040154

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol (CID 43531505) is 1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)COc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is XWVBGCXZMJSRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-4-2-3-5-17(13)21-12-15(19)11-20-16-8-6-14(10-18)7-9-16/h2-9,15,19H,10-12,18H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol?
1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 43531505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).