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

C14H21NO3 — CID 43531580

IUPAC1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol
SMILESNCc1ccc(OCC(O)COCC2CC2)cc1
InChIInChI=1S/C14H21NO3/c15-7-11-3-5-14(6-4-11)18-10-13(16)9-17-8-12-1-2-12/h3-6,12-13,16H,1-2,7-10,15H2
InChIKeyIDZXPWRMYWXWPB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.31
Rot. Bonds8

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

1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol (PubChem CID 43531580) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol
PubChem CID43531580
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol
SMILESNCc1ccc(OCC(O)COCC2CC2)cc1
InChIInChI=1S/C14H21NO3/c15-7-11-3-5-14(6-4-11)18-10-13(16)9-17-8-12-1-2-12/h3-6,12-13,16H,1-2,7-10,15H2
InChIKeyIDZXPWRMYWXWPB-UHFFFAOYSA-N
XLogP1.31
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol
CID 43531533
1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
CID 63685060
(2S)-1-(2-aminoethylamino)-3-[4-[2-[2-(cyclopropylmethoxy)ethoxy]ethyl]phenoxy]propan-2-ol
CID 54292131
1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol
CID 114157270
[2-hydroxy-3-[[4-[(2-hydroxy-3-phenoxypropoxy)methyl]cyclohexyl]methoxy]propyl] 2-methylprop-2-enoate
CID 67511890
1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 43253309
[(2R)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
CID 36688098
[(2S)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
CID 24849134
1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 43253320
1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 43568840
1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol
CID 43531505
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol (CID 43531580) is 1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol is NCc1ccc(OCC(O)COCC2CC2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol?
The InChIKey is IDZXPWRMYWXWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c15-7-11-3-5-14(6-4-11)18-10-13(16)9-17-8-12-1-2-12/h3-6,12-13,16H,1-2,7-10,15H2.
What are the key properties of 1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol?
1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.31, 8 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-(cyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 43531580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).