(2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine

C19H24ClNO — CID 130253559

IUPAC(2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine
SMILESCC(C)(C)c1cccc(CO[C@@H](CN)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H24ClNO/c1-19(2,3)16-8-4-6-14(10-16)13-22-18(12-21)15-7-5-9-17(20)11-15/h4-11,18H,12-13,21H2,1-3H3/t18-/m0/s1
InChIKeyPOELDKRTUZZWCN-SFHVURJKSA-N
MW317.86 g/mol
LogP4.85
Rot. Bonds5

About (2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine

(2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine (PubChem CID 130253559) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is (2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine
PubChem CID130253559
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name(2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine
SMILESCC(C)(C)c1cccc(CO[C@@H](CN)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H24ClNO/c1-19(2,3)16-8-4-6-14(10-16)13-22-18(12-21)15-7-5-9-17(20)11-15/h4-11,18H,12-13,21H2,1-3H3/t18-/m0/s1
InChIKeyPOELDKRTUZZWCN-SFHVURJKSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanamine
CID 65124586
2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63458293
2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
CID 114208280
2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine
CID 65127349
2-[(3-chlorophenyl)methoxy]-2-(2-fluorophenyl)ethanamine
CID 65124766
2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724920
ethyl 2-[(3-tert-butylphenyl)methyl]-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 86593310
2-(3-chlorophenyl)-3,3-dimethylbutan-1-amine
CID 82078166
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
CID 103377250
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
CID 62383668
2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63459198

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine?
The IUPAC name of (2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine (CID 130253559) is (2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine.
What is the SMILES notation for (2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine?
The canonical SMILES for (2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine is CC(C)(C)c1cccc(CO[C@@H](CN)c2cccc(Cl)c2)c1.
What is the InChIKey of (2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine?
The InChIKey is POELDKRTUZZWCN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-19(2,3)16-8-4-6-14(10-16)13-22-18(12-21)15-7-5-9-17(20)11-15/h4-11,18H,12-13,21H2,1-3H3/t18-/m0/s1.
What are the key properties of (2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine?
(2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine has a molecular weight of 317.86 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 130253559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).