(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine

C11H16ClNO — CID 84680067

IUPAC(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine
SMILESCOc1cc(Cl)cc(CN)c1C(C)C
InChIInChI=1S/C11H16ClNO/c1-7(2)11-8(6-13)4-9(12)5-10(11)14-3/h4-5,7H,6,13H2,1-3H3
InChIKeyXVXNWGOPIHKSAR-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.93
Rot. Bonds3

About (5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine

(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine (PubChem CID 84680067) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine
PubChem CID84680067
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine
SMILESCOc1cc(Cl)cc(CN)c1C(C)C
InChIInChI=1S/C11H16ClNO/c1-7(2)11-8(6-13)4-9(12)5-10(11)14-3/h4-5,7H,6,13H2,1-3H3
InChIKeyXVXNWGOPIHKSAR-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430045
3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)propanoic acid
CID 117395312
1-(4-chloro-2,6-dimethoxyphenyl)ethanamine
CID 130139712
2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone
CID 84702895
[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117423578
5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene
CID 134259779
3-amino-3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)propanoic acid
CID 117432171
3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)butanal
CID 117390184
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanamine
CID 104664287
1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine
CID 117310356
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
CID 104664304
3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine
CID 117398109

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine?
The IUPAC name of (5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine (CID 84680067) is (5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine?
The canonical SMILES for (5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine is COc1cc(Cl)cc(CN)c1C(C)C.
What is the InChIKey of (5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine?
The InChIKey is XVXNWGOPIHKSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7(2)11-8(6-13)4-9(12)5-10(11)14-3/h4-5,7H,6,13H2,1-3H3.
What are the key properties of (5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine?
(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine has a molecular weight of 213.71 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 84680067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).