N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine

C18H22ClNO — CID 63553311

IUPACN-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Cl)ccc1Oc1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H22ClNO/c1-13-11-15(19)9-10-16(13)21-17-8-6-5-7-14(17)12-20-18(2,3)4/h5-11,20H,12H2,1-4H3
InChIKeyQESNVSFZPVAPLG-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.33
Rot. Bonds4

About N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63553311) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63553311
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Cl)ccc1Oc1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H22ClNO/c1-13-11-15(19)9-10-16(13)21-17-8-6-5-7-14(17)12-20-18(2,3)4/h5-11,20H,12H2,1-4H3
InChIKeyQESNVSFZPVAPLG-UHFFFAOYSA-N
XLogP5.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550509
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 43283414
N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114856355
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 102990008
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine
CID 114855696
2-methyl-N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075329
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823
N-[[3-chloro-4-(2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81144981
N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322546
N-[[4-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254059
N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114855553

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63553311) is N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine is Cc1cc(Cl)ccc1Oc1ccccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QESNVSFZPVAPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13-11-15(19)9-10-16(13)21-17-8-6-5-7-14(17)12-20-18(2,3)4/h5-11,20H,12H2,1-4H3.
What are the key properties of N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63553311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).