5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol

C16H27NO2 — CID 63062040

IUPAC5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol
SMILESCC(C)(C)NCc1ccc(OCCCCCO)cc1
InChIInChI=1S/C16H27NO2/c1-16(2,3)17-13-14-7-9-15(10-8-14)19-12-6-4-5-11-18/h7-10,17-18H,4-6,11-13H2,1-3H3
InChIKeyTWHJBOZIXAVMAC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.12
Rot. Bonds8

About 5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol

5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol (PubChem CID 63062040) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol
PubChem CID63062040
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol
SMILESCC(C)(C)NCc1ccc(OCCCCCO)cc1
InChIInChI=1S/C16H27NO2/c1-16(2,3)17-13-14-7-9-15(10-8-14)19-12-6-4-5-11-18/h7-10,17-18H,4-6,11-13H2,1-3H3
InChIKeyTWHJBOZIXAVMAC-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106411
2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
CID 28725557
6-[4-bromo-3-[(tert-butylamino)methyl]phenoxy]hexan-1-ol
CID 107702759
11-[4-[1,1-bis[4-(11-hydroxyundecoxy)phenyl]ethyl]phenoxy]undecan-1-ol
CID 102322875
2-(hydroxymethyl)-2-[(4-tetradecoxyphenyl)methylamino]propane-1,3-diol;hydrochloride
CID 71612675
N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 103409048
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
8-[4-(aminomethyl)phenoxy]octan-1-ol
CID 71278332
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
11-(4-methylphenoxy)undecan-1-ol
CID 67541960

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol (CID 63062040) is 5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol is CC(C)(C)NCc1ccc(OCCCCCO)cc1.
What is the InChIKey of 5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol?
The InChIKey is TWHJBOZIXAVMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2,3)17-13-14-7-9-15(10-8-14)19-12-6-4-5-11-18/h7-10,17-18H,4-6,11-13H2,1-3H3.
What are the key properties of 5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol?
5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol is sourced from PubChem (CID 63062040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).