4-(4-methoxyphenyl)butan-1-amine;hydrochloride

C11H18ClNO — CID 22715047

IUPAC4-(4-methoxyphenyl)butan-1-amine;hydrochloride
SMILESCOc1ccc(CCCCN)cc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-13-11-7-5-10(6-8-11)4-2-3-9-12;/h5-8H,2-4,9,12H2,1H3;1H
InChIKeyDXDYWEJJBBORJZ-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.40
Rot. Bonds5

About 4-(4-methoxyphenyl)butan-1-amine;hydrochloride

4-(4-methoxyphenyl)butan-1-amine;hydrochloride (PubChem CID 22715047) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenyl)butan-1-amine;hydrochloride
PubChem CID22715047
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name4-(4-methoxyphenyl)butan-1-amine;hydrochloride
SMILESCOc1ccc(CCCCN)cc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-13-11-7-5-10(6-8-11)4-2-3-9-12;/h5-8H,2-4,9,12H2,1H3;1H
InChIKeyDXDYWEJJBBORJZ-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.40
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

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CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
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CID 3029814
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
3-[2-(4-methoxyphenyl)ethylsulfanyl]propan-1-amine
CID 66217832
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)butan-1-amine;hydrochloride?
The IUPAC name of 4-(4-methoxyphenyl)butan-1-amine;hydrochloride (CID 22715047) is 4-(4-methoxyphenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenyl)butan-1-amine;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenyl)butan-1-amine;hydrochloride is COc1ccc(CCCCN)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenyl)butan-1-amine;hydrochloride?
The InChIKey is DXDYWEJJBBORJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-13-11-7-5-10(6-8-11)4-2-3-9-12;/h5-8H,2-4,9,12H2,1H3;1H.
What are the key properties of 4-(4-methoxyphenyl)butan-1-amine;hydrochloride?
4-(4-methoxyphenyl)butan-1-amine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 22715047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).