4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine

C14H20ClNO — CID 117387894

IUPAC4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
SMILESNCCCCc1cc(Cl)ccc1OC1CCC1
InChIInChI=1S/C14H20ClNO/c15-12-7-8-14(17-13-5-3-6-13)11(10-12)4-1-2-9-16/h7-8,10,13H,1-6,9,16H2
InChIKeyUNOCQFXTWJQGMS-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.55
Rot. Bonds6

About 4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine

4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine (PubChem CID 117387894) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
PubChem CID117387894
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
SMILESNCCCCc1cc(Cl)ccc1OC1CCC1
InChIInChI=1S/C14H20ClNO/c15-12-7-8-14(17-13-5-3-6-13)11(10-12)4-1-2-9-16/h7-8,10,13H,1-6,9,16H2
InChIKeyUNOCQFXTWJQGMS-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 54931099
4-chloro-2-(chloromethyl)-1-cyclopentyloxybenzene
CID 43141955
3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
CID 117298784
3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine
CID 117428416
4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
CID 117479607
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607
2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117418732
3-(2-cyclopropyloxyphenyl)propan-1-amine
CID 117282623
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol
CID 111470408

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine?
The IUPAC name of 4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine (CID 117387894) is 4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine.
What is the SMILES notation for 4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine?
The canonical SMILES for 4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine is NCCCCc1cc(Cl)ccc1OC1CCC1.
What is the InChIKey of 4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine?
The InChIKey is UNOCQFXTWJQGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-12-7-8-14(17-13-5-3-6-13)11(10-12)4-1-2-9-16/h7-8,10,13H,1-6,9,16H2.
What are the key properties of 4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine?
4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine is sourced from PubChem (CID 117387894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).