2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol

C11H16ClNO3 — CID 107678609

IUPAC2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol
SMILESCOC(OC)C(C)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H16ClNO3/c1-7(11(15-2)16-3)13-8-4-5-10(14)9(12)6-8/h4-7,11,13-14H,1-3H3
InChIKeyVEWZDIHGYPRABR-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.46
Rot. Bonds5

About 2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol

2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol (PubChem CID 107678609) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol.

Molecular Properties

Compound Name2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol
PubChem CID107678609
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol
SMILESCOC(OC)C(C)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H16ClNO3/c1-7(11(15-2)16-3)13-8-4-5-10(14)9(12)6-8/h4-7,11,13-14H,1-3H3
InChIKeyVEWZDIHGYPRABR-UHFFFAOYSA-N
XLogP2.46
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(2-methylpropylamino)phenol
CID 107678389
methyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 18932212
2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol
CID 107678691
2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol
CID 107678509
2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol
CID 107678452
methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate
CID 20765748
2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline
CID 65468927
N-(3-chloro-4-hydroxyphenyl)-4-methoxy-2-methylbutanamide
CID 86785937
3-(3-chloro-4-methoxyanilino)-2-methylbutanoic acid
CID 79391077
methyl 3-(3-chloro-4-fluoroanilino)-2-methylbutanoate
CID 83107488
3-chloro-4-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917788
2-methoxy-5-(3-methylbutan-2-ylamino)phenol
CID 43743784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol?
The IUPAC name of 2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol (CID 107678609) is 2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol.
What is the SMILES notation for 2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol?
The canonical SMILES for 2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol is COC(OC)C(C)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol?
The InChIKey is VEWZDIHGYPRABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-7(11(15-2)16-3)13-8-4-5-10(14)9(12)6-8/h4-7,11,13-14H,1-3H3.
What are the key properties of 2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol?
2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol has a molecular weight of 245.71 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol is sourced from PubChem (CID 107678609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).