3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol

C18H30N2O — CID 64797458

IUPAC3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCCCN(CC(CO)(NC(C)C)c1ccccc1)C1CC1
InChIInChI=1S/C18H30N2O/c1-4-12-20(17-10-11-17)13-18(14-21,19-15(2)3)16-8-6-5-7-9-16/h5-9,15,17,19,21H,4,10-14H2,1-3H3
InChIKeyNDNOJDVFJYFOAZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.75
Rot. Bonds9

About 3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol

3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64797458) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64797458
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCCCN(CC(CO)(NC(C)C)c1ccccc1)C1CC1
InChIInChI=1S/C18H30N2O/c1-4-12-20(17-10-11-17)13-18(14-21,19-15(2)3)16-8-6-5-7-9-16/h5-9,15,17,19,21H,4,10-14H2,1-3H3
InChIKeyNDNOJDVFJYFOAZ-UHFFFAOYSA-N
XLogP2.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol
CID 116695124
3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798274
4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695126
3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798698
4-[cyclopropyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695209
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64804504
2-[cyclopropyl-[2-methyl-3-(methylamino)-2-phenylpropyl]amino]ethanol
CID 55056120
3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64790980
1-[cyclopropyl(2-hydroxyethyl)amino]-2-phenylpropan-2-ol
CID 62373661
3-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64820845
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol (CID 64797458) is 3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol is CCCN(CC(CO)(NC(C)C)c1ccccc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is NDNOJDVFJYFOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-20(17-10-11-17)13-18(14-21,19-15(2)3)16-8-6-5-7-9-16/h5-9,15,17,19,21H,4,10-14H2,1-3H3.
What are the key properties of 3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64797458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).