3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine

C12H18ClNO — CID 82263394

IUPAC3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1ccc(Cl)cc1CCCN
InChIInChI=1S/C12H18ClNO/c1-9(2)15-12-6-5-11(13)8-10(12)4-3-7-14/h5-6,8-9H,3-4,7,14H2,1-2H3
InChIKeyDEEHRYGDXYWQET-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.02
Rot. Bonds5

About 3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine

3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 82263394) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
PubChem CID82263394
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1ccc(Cl)cc1CCCN
InChIInChI=1S/C12H18ClNO/c1-9(2)15-12-6-5-11(13)8-10(12)4-3-7-14/h5-6,8-9H,3-4,7,14H2,1-2H3
InChIKeyDEEHRYGDXYWQET-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine
CID 117398109
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine
CID 82264895
2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
CID 60905190
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990119
3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117304754
[5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine
CID 62494700
4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine
CID 117422151
3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170867838
4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
CID 117387894
4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
CID 112512686

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine (CID 82263394) is 3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine is CC(C)Oc1ccc(Cl)cc1CCCN.
What is the InChIKey of 3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is DEEHRYGDXYWQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9(2)15-12-6-5-11(13)8-10(12)4-3-7-14/h5-6,8-9H,3-4,7,14H2,1-2H3.
What are the key properties of 3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine?
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 227.74 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 82263394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).