N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride

C25H30ClNO2 — CID 67841656

IUPACN-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride
SMILESCOc1ccc(C(CC(C)NCc2ccccc2)c2ccc(OC)cc2)cc1.Cl
InChIInChI=1S/C25H29NO2.ClH/c1-19(26-18-20-7-5-4-6-8-20)17-25(21-9-13-23(27-2)14-10-21)22-11-15-24(28-3)16-12-22;/h4-16,19,25-26H,17-18H2,1-3H3;1H
InChIKeyLICHGHYDGLKMRJ-UHFFFAOYSA-N
MW411.97 g/mol
LogP5.83
Rot. Bonds9

About N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride

N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride (PubChem CID 67841656) has the molecular formula C25H30ClNO2 and a molecular weight of 411.97 g/mol. Its IUPAC name is N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride
PubChem CID67841656
Molecular FormulaC25H30ClNO2
Molecular Weight411.97 g/mol
Exact Mass411.20
IUPAC NameN-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride
SMILESCOc1ccc(C(CC(C)NCc2ccccc2)c2ccc(OC)cc2)cc1.Cl
InChIInChI=1S/C25H29NO2.ClH/c1-19(26-18-20-7-5-4-6-8-20)17-25(21-9-13-23(27-2)14-10-21)22-11-15-24(28-3)16-12-22;/h4-16,19,25-26H,17-18H2,1-3H3;1H
InChIKeyLICHGHYDGLKMRJ-UHFFFAOYSA-N
XLogP5.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.97
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184376
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
(1R)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184377
N-benzyl-4,4-dichlorobutan-2-amine
CID 162493357
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
3-(benzylamino)-1-phenylbutan-1-ol
CID 70615080
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride
CID 117066854
4,4-bis(4-methoxyphenyl)butan-2-amine
CID 12821400
2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide
CID 4878013
(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2444533

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride?
The IUPAC name of N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride (CID 67841656) is N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride is COc1ccc(C(CC(C)NCc2ccccc2)c2ccc(OC)cc2)cc1.Cl.
What is the InChIKey of N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride?
The InChIKey is LICHGHYDGLKMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2.ClH/c1-19(26-18-20-7-5-4-6-8-20)17-25(21-9-13-23(27-2)14-10-21)22-11-15-24(28-3)16-12-22;/h4-16,19,25-26H,17-18H2,1-3H3;1H.
What are the key properties of N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride?
N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride has a molecular weight of 411.97 g/mol, XLogP of 5.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 67841656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).