4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol

C17H27NO — CID 79358775

IUPAC4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NC1C(C)(C)C1(C)C
InChIInChI=1S/C17H27NO/c1-12(18-15-16(2,3)17(15,4)5)6-7-13-8-10-14(19)11-9-13/h8-12,15,18-19H,6-7H2,1-5H3
InChIKeyASRSUTTXHFTQBL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.74
Rot. Bonds5

About 4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol

4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol (PubChem CID 79358775) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol
PubChem CID79358775
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NC1C(C)(C)C1(C)C
InChIInChI=1S/C17H27NO/c1-12(18-15-16(2,3)17(15,4)5)6-7-13-8-10-14(19)11-9-13/h8-12,15,18-19H,6-7H2,1-5H3
InChIKeyASRSUTTXHFTQBL-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-(1-aminopropan-2-ylamino)butyl]phenol
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CID 43317708
4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol
CID 104862215
4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
CID 61212712
4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol
CID 79358978
4-[3-(pyrrol-1-ylamino)butyl]phenol
CID 79090689
4-[3-(2-methylbutan-2-ylamino)butyl]phenol
CID 43824453
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
CID 55104650
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol?
The IUPAC name of 4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol (CID 79358775) is 4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol.
What is the SMILES notation for 4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol?
The canonical SMILES for 4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol is CC(CCc1ccc(O)cc1)NC1C(C)(C)C1(C)C.
What is the InChIKey of 4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol?
The InChIKey is ASRSUTTXHFTQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(18-15-16(2,3)17(15,4)5)6-7-13-8-10-14(19)11-9-13/h8-12,15,18-19H,6-7H2,1-5H3.
What are the key properties of 4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol?
4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol is sourced from PubChem (CID 79358775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).