4-phenylbutan-1-amine;hydrochloride

C10H16ClN — CID 44630065

IUPAC4-phenylbutan-1-amine;hydrochloride
SMILESCl.NCCCCc1ccccc1
InChIInChI=1S/C10H15N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9,11H2;1H
InChIKeyDGDORWAJHREUEO-UHFFFAOYSA-N
MW185.70 g/mol
LogP2.39
Rot. Bonds4

About 4-phenylbutan-1-amine;hydrochloride

4-phenylbutan-1-amine;hydrochloride (PubChem CID 44630065) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is 4-phenylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-phenylbutan-1-amine;hydrochloride
PubChem CID44630065
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name4-phenylbutan-1-amine;hydrochloride
SMILESCl.NCCCCc1ccccc1
InChIInChI=1S/C10H15N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9,11H2;1H
InChIKeyDGDORWAJHREUEO-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

13-phenyltridecan-1-amine
CID 19801439
benzene;3-phenylpropan-1-amine
CID 174865683
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
4-phenylbutylbenzene
CID 141301927
3-phenylpropan-1-amine;propane
CID 70273467
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
butan-1-amine;dodecylbenzene
CID 158824240
4-(3-phenylphenyl)butan-1-amine
CID 117324209
4-phenylbutan-1-amine;4-phenylbutan-2-one
CID 143577690
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828

Frequently Asked Questions

What is the IUPAC name of 4-phenylbutan-1-amine;hydrochloride?
The IUPAC name of 4-phenylbutan-1-amine;hydrochloride (CID 44630065) is 4-phenylbutan-1-amine;hydrochloride.
What is the SMILES notation for 4-phenylbutan-1-amine;hydrochloride?
The canonical SMILES for 4-phenylbutan-1-amine;hydrochloride is Cl.NCCCCc1ccccc1.
What is the InChIKey of 4-phenylbutan-1-amine;hydrochloride?
The InChIKey is DGDORWAJHREUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9,11H2;1H.
What are the key properties of 4-phenylbutan-1-amine;hydrochloride?
4-phenylbutan-1-amine;hydrochloride has a molecular weight of 185.70 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbutan-1-amine;hydrochloride is sourced from PubChem (CID 44630065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).