4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride

C17H30ClNO — CID 19885187

IUPAC4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride
SMILESCCCCOc1ccc(CCC(C)NC(C)C)cc1.Cl
InChIInChI=1S/C17H29NO.ClH/c1-5-6-13-19-17-11-9-16(10-12-17)8-7-15(4)18-14(2)3;/h9-12,14-15,18H,5-8,13H2,1-4H3;1H
InChIKeyPULIWDMXXMFNNK-UHFFFAOYSA-N
MW299.89 g/mol
LogP4.61
Rot. Bonds9

About 4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride

4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride (PubChem CID 19885187) has the molecular formula C17H30ClNO and a molecular weight of 299.89 g/mol. Its IUPAC name is 4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride
PubChem CID19885187
Molecular FormulaC17H30ClNO
Molecular Weight299.89 g/mol
Exact Mass299.20
IUPAC Name4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride
SMILESCCCCOc1ccc(CCC(C)NC(C)C)cc1.Cl
InChIInChI=1S/C17H29NO.ClH/c1-5-6-13-19-17-11-9-16(10-12-17)8-7-15(4)18-14(2)3;/h9-12,14-15,18H,5-8,13H2,1-4H3;1H
InChIKeyPULIWDMXXMFNNK-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.89
LogP ≤ 54.61
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

(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 115493310
4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
5-(4-heptoxyphenyl)-3-methylpentan-2-ol
CID 143147990
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine
CID 93007407
1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol
CID 82184926
4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
CID 18927874
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
CID 43279821
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745

Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride?
The IUPAC name of 4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride (CID 19885187) is 4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride.
What is the SMILES notation for 4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride?
The canonical SMILES for 4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride is CCCCOc1ccc(CCC(C)NC(C)C)cc1.Cl.
What is the InChIKey of 4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride?
The InChIKey is PULIWDMXXMFNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO.ClH/c1-5-6-13-19-17-11-9-16(10-12-17)8-7-15(4)18-14(2)3;/h9-12,14-15,18H,5-8,13H2,1-4H3;1H.
What are the key properties of 4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride?
4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride has a molecular weight of 299.89 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride is sourced from PubChem (CID 19885187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).