1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride

C19H34ClNO — CID 170890567

IUPAC1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(C(C)(C)CC(C)(C)C)ccc1OC.Cl
InChIInChI=1S/C19H33NO.ClH/c1-8-16(20)12-14-11-15(9-10-17(14)21-7)19(5,6)13-18(2,3)4;/h9-11,16H,8,12-13,20H2,1-7H3;1H
InChIKeyIHZZYDRODYFUEN-UHFFFAOYSA-N
MW327.94 g/mol
LogP5.11
Rot. Bonds6

About 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride

1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride (PubChem CID 170890567) has the molecular formula C19H34ClNO and a molecular weight of 327.94 g/mol. Its IUPAC name is 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride
PubChem CID170890567
Molecular FormulaC19H34ClNO
Molecular Weight327.94 g/mol
Exact Mass327.23
IUPAC Name1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(C(C)(C)CC(C)(C)C)ccc1OC.Cl
InChIInChI=1S/C19H33NO.ClH/c1-8-16(20)12-14-11-15(9-10-17(14)21-7)19(5,6)13-18(2,3)4;/h9-11,16H,8,12-13,20H2,1-7H3;1H
InChIKeyIHZZYDRODYFUEN-UHFFFAOYSA-N
XLogP5.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.94
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-propoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine
CID 170890591
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol
CID 117446796
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine
CID 117448513
4-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-1-amine
CID 117471026
2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 3935984
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563
4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
CID 117445044
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine
CID 61481330
4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
CID 54283299
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
CID 170890492

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride (CID 170890567) is 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride is CCC(N)Cc1cc(C(C)(C)CC(C)(C)C)ccc1OC.Cl.
What is the InChIKey of 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride?
The InChIKey is IHZZYDRODYFUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO.ClH/c1-8-16(20)12-14-11-15(9-10-17(14)21-7)19(5,6)13-18(2,3)4;/h9-11,16H,8,12-13,20H2,1-7H3;1H.
What are the key properties of 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride?
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride has a molecular weight of 327.94 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170890567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).