5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol

C16H26N2O — CID 79603979

IUPAC5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol
SMILESCNC(C)c1ccc(N(CC2CC2)C(C)C)cc1O
InChIInChI=1S/C16H26N2O/c1-11(2)18(10-13-5-6-13)14-7-8-15(12(3)17-4)16(19)9-14/h7-9,11-13,17,19H,5-6,10H2,1-4H3
InChIKeyUMWUKWAIRRVLAD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.30
Rot. Bonds6

About 5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol

5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol (PubChem CID 79603979) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol
PubChem CID79603979
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol
SMILESCNC(C)c1ccc(N(CC2CC2)C(C)C)cc1O
InChIInChI=1S/C16H26N2O/c1-11(2)18(10-13-5-6-13)14-7-8-15(12(3)17-4)16(19)9-14/h7-9,11-13,17,19H,5-6,10H2,1-4H3
InChIKeyUMWUKWAIRRVLAD-UHFFFAOYSA-N
XLogP3.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol
CID 79603652
5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79591221
2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol
CID 79590960
2-[1-(methylamino)ethyl]-5-[methyl(pyridin-4-ylmethyl)amino]phenol
CID 79599888
5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600236
5-[(2-fluorophenyl)methyl-methylamino]-2-[1-(methylamino)ethyl]phenol
CID 79590474
5-[4-(dimethylamino)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600608
5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600599
5-[(3-bromophenyl)methyl-methylamino]-2-[1-(methylamino)ethyl]phenol
CID 79590480
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline
CID 82968388
2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103496849
5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol
CID 104583290

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol?
The IUPAC name of 5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol (CID 79603979) is 5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol.
What is the SMILES notation for 5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol?
The canonical SMILES for 5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol is CNC(C)c1ccc(N(CC2CC2)C(C)C)cc1O.
What is the InChIKey of 5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol?
The InChIKey is UMWUKWAIRRVLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)18(10-13-5-6-13)14-7-8-15(12(3)17-4)16(19)9-14/h7-9,11-13,17,19H,5-6,10H2,1-4H3.
What are the key properties of 5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol?
5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol is sourced from PubChem (CID 79603979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).