2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol

C18H29NO — CID 61237684

IUPAC2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol
SMILESCC(C)(C)C1CCC(Nc2ccc(CCO)cc2)CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)15-6-10-17(11-7-15)19-16-8-4-14(5-9-16)12-13-20/h4-5,8-9,15,17,19-20H,6-7,10-13H2,1-3H3
InChIKeyBGIOYLYPIGUWGL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds4

About 2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol

2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol (PubChem CID 61237684) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol
PubChem CID61237684
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol
SMILESCC(C)(C)C1CCC(Nc2ccc(CCO)cc2)CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)15-6-10-17(11-7-15)19-16-8-4-14(5-9-16)12-13-20/h4-5,8-9,15,17,19-20H,6-7,10-13H2,1-3H3
InChIKeyBGIOYLYPIGUWGL-UHFFFAOYSA-N
XLogP4.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199670
4-[(4-tert-butylcyclohexyl)amino]benzoic acid
CID 43139224
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]ethanol
CID 61237683
tert-butyl (4S)-4-[4-(2-hydroxyethyl)anilino]azepane-1-carboxylate
CID 99853020
4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide
CID 43683594
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 29302845
4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol
CID 61239240
2-amino-2-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61237343
2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol
CID 175501471
2-[4-[(3-aminocyclohexyl)amino]phenyl]ethanol
CID 79458778
2-[4-(1,2,3,4-tetrahydronaphthalen-2-ylamino)phenyl]ethanol
CID 61236425

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol?
The IUPAC name of 2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol (CID 61237684) is 2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol is CC(C)(C)C1CCC(Nc2ccc(CCO)cc2)CC1.
What is the InChIKey of 2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol?
The InChIKey is BGIOYLYPIGUWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)15-6-10-17(11-7-15)19-16-8-4-14(5-9-16)12-13-20/h4-5,8-9,15,17,19-20H,6-7,10-13H2,1-3H3.
What are the key properties of 2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol?
2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol has a molecular weight of 275.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol is sourced from PubChem (CID 61237684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).