2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol

C16H26N2O — CID 64826466

IUPAC2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
SMILESCCN(CC(C)(CO)NC1CC1)c1cccc(C)c1
InChIInChI=1S/C16H26N2O/c1-4-18(15-7-5-6-13(2)10-15)11-16(3,12-19)17-14-8-9-14/h5-7,10,14,17,19H,4,8-9,11-12H2,1-3H3
InChIKeySSJIQMJOAFFTFA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.32
Rot. Bonds7

About 2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol

2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol (PubChem CID 64826466) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
PubChem CID64826466
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
SMILESCCN(CC(C)(CO)NC1CC1)c1cccc(C)c1
InChIInChI=1S/C16H26N2O/c1-4-18(15-7-5-6-13(2)10-15)11-16(3,12-19)17-14-8-9-14/h5-7,10,14,17,19H,4,8-9,11-12H2,1-3H3
InChIKeySSJIQMJOAFFTFA-UHFFFAOYSA-N
XLogP2.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248
2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol
CID 64825667
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851
3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64810630
3-(N,3-dimethylanilino)-2-(ethylamino)-2-methylpropan-1-ol
CID 64792128
1-(N-ethyl-3-methylanilino)-2-phenylpropan-2-ol
CID 62374821
3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827300
2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid
CID 63911523
4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64825867
2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64791529
2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
CID 64802296
2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol
CID 64802097

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol (CID 64826466) is 2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol is CCN(CC(C)(CO)NC1CC1)c1cccc(C)c1.
What is the InChIKey of 2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol?
The InChIKey is SSJIQMJOAFFTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(15-7-5-6-13(2)10-15)11-16(3,12-19)17-14-8-9-14/h5-7,10,14,17,19H,4,8-9,11-12H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol?
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 64826466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).