2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol

C14H22ClNO2 — CID 103275864

IUPAC2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol
SMILESCCOCC(NCc1cccc(Cl)c1O)C(C)C
InChIInChI=1S/C14H22ClNO2/c1-4-18-9-13(10(2)3)16-8-11-6-5-7-12(15)14(11)17/h5-7,10,13,16-17H,4,8-9H2,1-3H3
InChIKeyYWXHPOJJFMTKCX-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.20
Rot. Bonds7

About 2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol

2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol (PubChem CID 103275864) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol
PubChem CID103275864
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol
SMILESCCOCC(NCc1cccc(Cl)c1O)C(C)C
InChIInChI=1S/C14H22ClNO2/c1-4-18-9-13(10(2)3)16-8-11-6-5-7-12(15)14(11)17/h5-7,10,13,16-17H,4,8-9H2,1-3H3
InChIKeyYWXHPOJJFMTKCX-UHFFFAOYSA-N
XLogP3.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(1-methoxybutan-2-ylamino)methyl]phenol
CID 112554908
1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine
CID 107329660
ethyl 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanoate
CID 112606688
2-chloro-6-[(1-methylsulfanylbutan-2-ylamino)methyl]phenol
CID 115908828
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271048
2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
CID 112568714
2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 112553966
3-chloro-2-[(1-ethoxypropan-2-ylamino)methyl]phenol
CID 78960257
1-chloro-N-[(2,3-dichlorophenyl)methyl]-3-methylbutan-2-amine
CID 107310019
2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
CID 112553929
2-chloro-6-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol
CID 115907627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol (CID 103275864) is 2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol is CCOCC(NCc1cccc(Cl)c1O)C(C)C.
What is the InChIKey of 2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol?
The InChIKey is YWXHPOJJFMTKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-18-9-13(10(2)3)16-8-11-6-5-7-12(15)14(11)17/h5-7,10,13,16-17H,4,8-9H2,1-3H3.
What are the key properties of 2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol?
2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol has a molecular weight of 271.79 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 103275864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).