1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride

C14H24ClNO — CID 170889301

IUPAC1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(OC(C)(C)C)cc1.Cl
InChIInChI=1S/C14H23NO.ClH/c1-5-12(15)10-11-6-8-13(9-7-11)16-14(2,3)4;/h6-9,12H,5,10,15H2,1-4H3;1H
InChIKeyCESKVYLKAMXBLB-UHFFFAOYSA-N
MW257.81 g/mol
LogP3.57
Rot. Bonds4

About 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride

1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride (PubChem CID 170889301) has the molecular formula C14H24ClNO and a molecular weight of 257.81 g/mol. Its IUPAC name is 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
PubChem CID170889301
Molecular FormulaC14H24ClNO
Molecular Weight257.81 g/mol
Exact Mass257.15
IUPAC Name1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(OC(C)(C)C)cc1.Cl
InChIInChI=1S/C14H23NO.ClH/c1-5-12(15)10-11-6-8-13(9-7-11)16-14(2,3)4;/h6-9,12H,5,10,15H2,1-4H3;1H
InChIKeyCESKVYLKAMXBLB-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol
CID 171271183
2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 15136722
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 55237009
1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60907948
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
ethyl 2-[[(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]acetate;hydrochloride
CID 131714055
1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine
CID 60907565
1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 18711783

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride (CID 170889301) is 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride is CCC(N)Cc1ccc(OC(C)(C)C)cc1.Cl.
What is the InChIKey of 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride?
The InChIKey is CESKVYLKAMXBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.ClH/c1-5-12(15)10-11-6-8-13(9-7-11)16-14(2,3)4;/h6-9,12H,5,10,15H2,1-4H3;1H.
What are the key properties of 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride?
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride has a molecular weight of 257.81 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170889301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).