(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium

C19H33ClNO2+ — CID 2236589

IUPAC(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium
SMILESCOc1cc(Cl)cc(C[NH2+]C(C)(C)CC(C)(C)C)c1OC(C)C
InChIInChI=1S/C19H32ClNO2/c1-13(2)23-17-14(9-15(20)10-16(17)22-8)11-21-19(6,7)12-18(3,4)5/h9-10,13,21H,11-12H2,1-8H3/p+1
InChIKeyXMSBRBRZSSUMQD-UHFFFAOYSA-O
MW342.93 g/mol
LogP4.41
Rot. Bonds7

About (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium

(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium (PubChem CID 2236589) has the molecular formula C19H33ClNO2+ and a molecular weight of 342.93 g/mol. Its IUPAC name is (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium.

Molecular Properties

Compound Name(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium
PubChem CID2236589
Molecular FormulaC19H33ClNO2+
Molecular Weight342.93 g/mol
Exact Mass342.22
IUPAC Name(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium
SMILESCOc1cc(Cl)cc(C[NH2+]C(C)(C)CC(C)(C)C)c1OC(C)C
InChIInChI=1S/C19H32ClNO2/c1-13(2)23-17-14(9-15(20)10-16(17)22-8)11-21-19(6,7)12-18(3,4)5/h9-10,13,21H,11-12H2,1-8H3/p+1
InChIKeyXMSBRBRZSSUMQD-UHFFFAOYSA-O
XLogP4.41
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium with MolForge

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Related Compounds

3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine
CID 117398109
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083
2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine
CID 117479519
[5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 113438824
[5-chloro-2-(3,3-dimethylbutoxy)-3-methoxyphenyl]methanol
CID 113438836
(3S,5R)-N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]-3,5-dimethyladamantan-1-amine
CID 51989340
3-amino-3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
CID 117464423
1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 104664508
(E)-3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 117392435
(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine
CID 168530261
1-(2-but-3-en-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 104664390
2-[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]butanenitrile
CID 104666243

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium?
The IUPAC name of (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium (CID 2236589) is (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium.
What is the SMILES notation for (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium?
The canonical SMILES for (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium is COc1cc(Cl)cc(C[NH2+]C(C)(C)CC(C)(C)C)c1OC(C)C.
What is the InChIKey of (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium?
The InChIKey is XMSBRBRZSSUMQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H32ClNO2/c1-13(2)23-17-14(9-15(20)10-16(17)22-8)11-21-19(6,7)12-18(3,4)5/h9-10,13,21H,11-12H2,1-8H3/p+1.
What are the key properties of (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium?
(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium has a molecular weight of 342.93 g/mol, XLogP of 4.41, 7 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-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium is sourced from PubChem (CID 2236589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).