1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride

C19H32ClNO — CID 170889912

IUPAC1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(OCC2CC2)c(C(C)(C)C)cc1C.Cl
InChIInChI=1S/C19H31NO.ClH/c1-6-16(20)10-15-11-18(21-12-14-7-8-14)17(9-13(15)2)19(3,4)5;/h9,11,14,16H,6-8,10,12,20H2,1-5H3;1H
InChIKeyGELSGYCNUQJKCY-UHFFFAOYSA-N
MW325.92 g/mol
LogP4.78
Rot. Bonds6

About 1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride

1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride (PubChem CID 170889912) has the molecular formula C19H32ClNO and a molecular weight of 325.92 g/mol. Its IUPAC name is 1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
PubChem CID170889912
Molecular FormulaC19H32ClNO
Molecular Weight325.92 g/mol
Exact Mass325.22
IUPAC Name1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(OCC2CC2)c(C(C)(C)C)cc1C.Cl
InChIInChI=1S/C19H31NO.ClH/c1-6-16(20)10-15-11-18(21-12-14-7-8-14)17(9-13(15)2)19(3,4)5;/h9,11,14,16H,6-8,10,12,20H2,1-5H3;1H
InChIKeyGELSGYCNUQJKCY-UHFFFAOYSA-N
XLogP4.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.92
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889904
1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine
CID 170890252
1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894108
1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride
CID 170890029
1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889656
1-[5-bromo-3-methyl-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115962930

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride (CID 170889912) is 1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride is CCC(N)Cc1cc(OCC2CC2)c(C(C)(C)C)cc1C.Cl.
What is the InChIKey of 1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride?
The InChIKey is GELSGYCNUQJKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO.ClH/c1-6-16(20)10-15-11-18(21-12-14-7-8-14)17(9-13(15)2)19(3,4)5;/h9,11,14,16H,6-8,10,12,20H2,1-5H3;1H.
What are the key properties of 1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride?
1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride has a molecular weight of 325.92 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170889912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).