4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol

C17H28N2O — CID 116695126

IUPAC4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
SMILESCCNC(CO)(CCN(CC)C1CC1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-18-17(14-20,15-8-6-5-7-9-15)12-13-19(4-2)16-10-11-16/h5-9,16,18,20H,3-4,10-14H2,1-2H3
InChIKeyBQPGWCARGTWTNA-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.36
Rot. Bonds9

About 4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol

4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol (PubChem CID 116695126) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
PubChem CID116695126
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
SMILESCCNC(CO)(CCN(CC)C1CC1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-18-17(14-20,15-8-6-5-7-9-15)12-13-19(4-2)16-10-11-16/h5-9,16,18,20H,3-4,10-14H2,1-2H3
InChIKeyBQPGWCARGTWTNA-UHFFFAOYSA-N
XLogP2.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.36
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
4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695160
4-[cyclopropyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695209
2-(ethylamino)-2-phenyl-4-[propan-2-yl(propyl)amino]butan-1-ol
CID 116695123
3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64797458
4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693715
2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol
CID 116694993
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol
CID 64806014
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828
N-cyclopropyl-N,N'-diethyl-2-methyl-2-phenylpropane-1,3-diamine
CID 62261792

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol?
The IUPAC name of 4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol (CID 116695126) is 4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol is CCNC(CO)(CCN(CC)C1CC1)c1ccccc1.
What is the InChIKey of 4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol?
The InChIKey is BQPGWCARGTWTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-18-17(14-20,15-8-6-5-7-9-15)12-13-19(4-2)16-10-11-16/h5-9,16,18,20H,3-4,10-14H2,1-2H3.
What are the key properties of 4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol?
4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).