1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride

C16H28ClNO — CID 170889656

IUPAC1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
SMILESCCOc1cc(C)c(CC(N)CC)cc1C(C)C.Cl
InChIInChI=1S/C16H27NO.ClH/c1-6-14(17)9-13-10-15(11(3)4)16(18-7-2)8-12(13)5;/h8,10-11,14H,6-7,9,17H2,1-5H3;1H
InChIKeyBOADPWPSECTMMU-UHFFFAOYSA-N
MW285.86 g/mol
LogP4.22
Rot. Bonds6

About 1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride

1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride (PubChem CID 170889656) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
PubChem CID170889656
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC Name1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
SMILESCCOc1cc(C)c(CC(N)CC)cc1C(C)C.Cl
InChIInChI=1S/C16H27NO.ClH/c1-6-14(17)9-13-10-15(11(3)4)16(18-7-2)8-12(13)5;/h8,10-11,14H,6-7,9,17H2,1-5H3;1H
InChIKeyBOADPWPSECTMMU-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416
1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
CID 58065697
1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894108
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine
CID 82552738
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82351673
1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine
CID 176553691
4-ethoxy-2-methyl-5-propan-2-ylbenzamide
CID 82266051
1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170889912
1-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperazine
CID 82266066
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride (CID 170889656) is 1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride is CCOc1cc(C)c(CC(N)CC)cc1C(C)C.Cl.
What is the InChIKey of 1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride?
The InChIKey is BOADPWPSECTMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.ClH/c1-6-14(17)9-13-10-15(11(3)4)16(18-7-2)8-12(13)5;/h8,10-11,14H,6-7,9,17H2,1-5H3;1H.
What are the key properties of 1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride?
1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride has a molecular weight of 285.86 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170889656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).