2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol

C18H29NO — CID 63995935

IUPAC2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCCC(CC1CC1)NCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H29NO/c1-4-17(11-14-5-6-14)19-12-18(20)16-9-7-15(8-10-16)13(2)3/h7-10,13-14,17-20H,4-6,11-12H2,1-3H3
InChIKeyKCTBRCCTGLYTFT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.01
Rot. Bonds8

About 2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol

2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 63995935) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID63995935
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCCC(CC1CC1)NCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H29NO/c1-4-17(11-14-5-6-14)19-12-18(20)16-9-7-15(8-10-16)13(2)3/h7-10,13-14,17-20H,4-6,11-12H2,1-3H3
InChIKeyKCTBRCCTGLYTFT-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]ethanol
CID 63296177
1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol
CID 62118004
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048
2-(but-3-yn-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 114416816
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol
CID 76963597
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54949960
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63491374
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol
CID 82313988

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol (CID 63995935) is 2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol is CCC(CC1CC1)NCC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is KCTBRCCTGLYTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-17(11-14-5-6-14)19-12-18(20)16-9-7-15(8-10-16)13(2)3/h7-10,13-14,17-20H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol?
2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 275.44 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 63995935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).