1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol

C14H22N2O2 — CID 60635323

IUPAC1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
SMILESOC(CNCCc1ccccn1)COCC1CC1
InChIInChI=1S/C14H22N2O2/c17-14(11-18-10-12-4-5-12)9-15-8-6-13-3-1-2-7-16-13/h1-3,7,12,14-15,17H,4-6,8-11H2
InChIKeyAHLMPPCGAHRZNN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.00
Rot. Bonds9

About 1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol

1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol (PubChem CID 60635323) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
PubChem CID60635323
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
SMILESOC(CNCCc1ccccn1)COCC1CC1
InChIInChI=1S/C14H22N2O2/c17-14(11-18-10-12-4-5-12)9-15-8-6-13-3-1-2-7-16-13/h1-3,7,12,14-15,17H,4-6,8-11H2
InChIKeyAHLMPPCGAHRZNN-UHFFFAOYSA-N
XLogP1.00
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 140879411
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 103157099
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol
CID 106261580
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635632
1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 43166281
1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 101479636
1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 106174220
methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
CID 115123641
1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol
CID 139685684
1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 112684548
(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol
CID 70411130

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol (CID 60635323) is 1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol is OC(CNCCc1ccccn1)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The InChIKey is AHLMPPCGAHRZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-14(11-18-10-12-4-5-12)9-15-8-6-13-3-1-2-7-16-13/h1-3,7,12,14-15,17H,4-6,8-11H2.
What are the key properties of 1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol is sourced from PubChem (CID 60635323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).