4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol

C18H30N2O — CID 116695160

IUPAC4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
SMILESCCNC(CO)(CCN(C)C(C)C1CC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-19-18(14-21,17-8-6-5-7-9-17)12-13-20(3)15(2)16-10-11-16/h5-9,15-16,19,21H,4,10-14H2,1-3H3
InChIKeyDMYNKOKHMDQDQH-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.60
Rot. Bonds9

About 4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol

4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol (PubChem CID 116695160) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
PubChem CID116695160
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
SMILESCCNC(CO)(CCN(C)C(C)C1CC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-19-18(14-21,17-8-6-5-7-9-17)12-13-20(3)15(2)16-10-11-16/h5-9,15-16,19,21H,4,10-14H2,1-3H3
InChIKeyDMYNKOKHMDQDQH-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695126
2-(ethylamino)-2-phenyl-4-[propan-2-yl(propyl)amino]butan-1-ol
CID 116695123
4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693758
3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol
CID 62271507
2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol
CID 116695166
2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol
CID 116694993
2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
CID 116692435
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol
CID 116695088
2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
CID 116695560
2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
CID 102988159

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol?
The IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol (CID 116695160) is 4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol is CCNC(CO)(CCN(C)C(C)C1CC1)c1ccccc1.
What is the InChIKey of 4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol?
The InChIKey is DMYNKOKHMDQDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-18(14-21,17-8-6-5-7-9-17)12-13-20(3)15(2)16-10-11-16/h5-9,15-16,19,21H,4,10-14H2,1-3H3.
What are the key properties of 4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol?
4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).