1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol

C14H22N2O2 — CID 81404785

IUPAC1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COCC1CC1)c1cccnc1
InChIInChI=1S/C14H22N2O2/c1-11(13-3-2-6-15-7-13)16-8-14(17)10-18-9-12-4-5-12/h2-3,6-7,11-12,14,16-17H,4-5,8-10H2,1H3/t11-,14?/m1/s1
InChIKeyKMJHKJLQJKDJJJ-YNODCEANSA-N
MW250.34 g/mol
LogP1.52
Rot. Bonds8

About 1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol

1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol (PubChem CID 81404785) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
PubChem CID81404785
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COCC1CC1)c1cccnc1
InChIInChI=1S/C14H22N2O2/c1-11(13-3-2-6-15-7-13)16-8-14(17)10-18-9-12-4-5-12/h2-3,6-7,11-12,14,16-17H,4-5,8-10H2,1H3/t11-,14?/m1/s1
InChIKeyKMJHKJLQJKDJJJ-YNODCEANSA-N
XLogP1.52
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404417
1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81393836
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81405230
4-[1-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]ethyl]benzonitrile
CID 60760036
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115623727
1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81405111
1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol
CID 110010368
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol
CID 97158238
(1R)-N-[(3-methylcyclohexyl)methyl]-1-pyridin-3-ylethanamine
CID 81404492

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol (CID 81404785) is 1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol is C[C@@H](NCC(O)COCC1CC1)c1cccnc1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The InChIKey is KMJHKJLQJKDJJJ-YNODCEANSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(13-3-2-6-15-7-13)16-8-14(17)10-18-9-12-4-5-12/h2-3,6-7,11-12,14,16-17H,4-5,8-10H2,1H3/t11-,14?/m1/s1.
What are the key properties of 1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81404785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).