2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol

C18H30N2O — CID 63071100

IUPAC2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol
SMILESCC(C)(C)NCc1ccc(N(CCO)C2CCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-18(2,3)19-14-15-8-10-17(11-9-15)20(12-13-21)16-6-4-5-7-16/h8-11,16,19,21H,4-7,12-14H2,1-3H3
InChIKeyVQFPGMPDDQGIMK-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.32
Rot. Bonds6

About 2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol

2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol (PubChem CID 63071100) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol
PubChem CID63071100
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol
SMILESCC(C)(C)NCc1ccc(N(CCO)C2CCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-18(2,3)19-14-15-8-10-17(11-9-15)20(12-13-21)16-6-4-5-7-16/h8-11,16,19,21H,4-7,12-14H2,1-3H3
InChIKeyVQFPGMPDDQGIMK-UHFFFAOYSA-N
XLogP3.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol
CID 54994543
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline
CID 63059830
2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol
CID 102864906
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol
CID 102864733
2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
CID 78935648
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
CID 106971108
(1R)-1-[5-[cyclopentyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanol
CID 83132145
2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107481467
2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 113367679
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62130646

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol (CID 63071100) is 2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol is CC(C)(C)NCc1ccc(N(CCO)C2CCCC2)cc1.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol?
The InChIKey is VQFPGMPDDQGIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)19-14-15-8-10-17(11-9-15)20(12-13-21)16-6-4-5-7-16/h8-11,16,19,21H,4-7,12-14H2,1-3H3.
What are the key properties of 2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol?
2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol has a molecular weight of 290.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol is sourced from PubChem (CID 63071100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).