4,4-bis(4-methoxyphenyl)butan-2-amine

C18H23NO2 — CID 12821400

IUPAC4,4-bis(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(C(CC(C)N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-13(19)12-18(14-4-8-16(20-2)9-5-14)15-6-10-17(21-3)11-7-15/h4-11,13,18H,12,19H2,1-3H3
InChIKeyZJWUXBFCDSFWFC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.57
Rot. Bonds6

About 4,4-bis(4-methoxyphenyl)butan-2-amine

4,4-bis(4-methoxyphenyl)butan-2-amine (PubChem CID 12821400) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4,4-bis(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name4,4-bis(4-methoxyphenyl)butan-2-amine
PubChem CID12821400
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4,4-bis(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(C(CC(C)N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-13(19)12-18(14-4-8-16(20-2)9-5-14)15-6-10-17(21-3)11-7-15/h4-11,13,18H,12,19H2,1-3H3
InChIKeyZJWUXBFCDSFWFC-UHFFFAOYSA-N
XLogP3.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-methoxyphenyl)butan-1-ol
CID 81462602
4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
CID 57159301
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507
(2S)-1-(4-methoxyphenoxy)propan-2-amine
CID 7263362
[4-[1-(4-methoxyphenyl)-3-methylbutyl]phenyl] acetate
CID 122519114
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
(1S,2R)-1-amino-1-(4-methoxyphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171161991
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
(2S,4S)-2,4-diamino-4-(4-methoxyphenyl)butanoic acid
CID 129462911
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-methoxyphenyl)butan-2-amine?
The IUPAC name of 4,4-bis(4-methoxyphenyl)butan-2-amine (CID 12821400) is 4,4-bis(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 4,4-bis(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for 4,4-bis(4-methoxyphenyl)butan-2-amine is COc1ccc(C(CC(C)N)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,4-bis(4-methoxyphenyl)butan-2-amine?
The InChIKey is ZJWUXBFCDSFWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(19)12-18(14-4-8-16(20-2)9-5-14)15-6-10-17(21-3)11-7-15/h4-11,13,18H,12,19H2,1-3H3.
What are the key properties of 4,4-bis(4-methoxyphenyl)butan-2-amine?
4,4-bis(4-methoxyphenyl)butan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 12821400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).