N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine

C16H18ClNO — CID 90125094

IUPACN-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine
SMILESCC(C)(C)NOc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClNO/c1-16(2,3)18-19-15-10-9-13(11-14(15)17)12-7-5-4-6-8-12/h4-11,18H,1-3H3
InChIKeyJBCHDHQZZDFZQH-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.69
Rot. Bonds3

About N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine

N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine (PubChem CID 90125094) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine
PubChem CID90125094
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine
SMILESCC(C)(C)NOc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClNO/c1-16(2,3)18-19-15-10-9-13(11-14(15)17)12-7-5-4-6-8-12/h4-11,18H,1-3H3
InChIKeyJBCHDHQZZDFZQH-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-yn-1-amine
CID 62571020
3-[(2-chloro-4-phenylphenoxy)methyl]pentan-3-ol
CID 114495970
3-(2-chloro-4-phenylphenoxy)-2-methylpropanenitrile
CID 43367426
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119627165
2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene
CID 63499479
1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene
CID 176866089
3-[(2-chloro-4-phenylphenoxy)-dimethylsilyl]propanenitrile
CID 614394
N-[2-(2-chloro-4-phenylphenoxy)ethyl]butan-1-amine
CID 63506720
2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 60877836
trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 102735372
2-(2-chloro-4-phenylphenoxy)pyridine
CID 141486105

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine?
The IUPAC name of N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine (CID 90125094) is N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine is CC(C)(C)NOc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine?
The InChIKey is JBCHDHQZZDFZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-16(2,3)18-19-15-10-9-13(11-14(15)17)12-7-5-4-6-8-12/h4-11,18H,1-3H3.
What are the key properties of N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine?
N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine has a molecular weight of 275.78 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-phenylphenoxy)-2-methylpropan-2-amine is sourced from PubChem (CID 90125094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).