[5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine

C13H20ClNO — CID 62494700

IUPAC[5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine
SMILESCC(C)CC(C)Oc1ccc(Cl)cc1CN
InChIInChI=1S/C13H20ClNO/c1-9(2)6-10(3)16-13-5-4-12(14)7-11(13)8-15/h4-5,7,9-10H,6,8,15H2,1-3H3
InChIKeyLPYLKYXDRSISGB-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.61
Rot. Bonds5

About [5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine

[5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine (PubChem CID 62494700) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is [5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine
PubChem CID62494700
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name[5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine
SMILESCC(C)CC(C)Oc1ccc(Cl)cc1CN
InChIInChI=1S/C13H20ClNO/c1-9(2)6-10(3)16-13-5-4-12(14)7-11(13)8-15/h4-5,7,9-10H,6,8,15H2,1-3H3
InChIKeyLPYLKYXDRSISGB-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
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[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine
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2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
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4-(2,4-dichlorophenoxy)pentan-1-amine
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4-(2-benzyl-4-chlorophenoxy)pentan-2-one
CID 64697546
[5-chloro-2-(2-methylidenebutoxy)phenyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine (CID 62494700) is [5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine is CC(C)CC(C)Oc1ccc(Cl)cc1CN.
What is the InChIKey of [5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine?
The InChIKey is LPYLKYXDRSISGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-9(2)6-10(3)16-13-5-4-12(14)7-11(13)8-15/h4-5,7,9-10H,6,8,15H2,1-3H3.
What are the key properties of [5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine?
[5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine has a molecular weight of 241.76 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine is sourced from PubChem (CID 62494700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).