N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride

C19H24Cl3NO — CID 17211012

IUPACN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride
SMILESCCC(C)(C)NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1.Cl
InChIInChI=1S/C19H23Cl2NO.ClH/c1-4-19(2,3)22-12-15-10-16(20)18(17(21)11-15)23-13-14-8-6-5-7-9-14;/h5-11,22H,4,12-13H2,1-3H3;1H
InChIKeyKDLZTZGJXCZZRF-UHFFFAOYSA-N
MW388.77 g/mol
LogP6.27
Rot. Bonds7

About N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride

N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride (PubChem CID 17211012) has the molecular formula C19H24Cl3NO and a molecular weight of 388.77 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride
PubChem CID17211012
Molecular FormulaC19H24Cl3NO
Molecular Weight388.77 g/mol
Exact Mass387.09
IUPAC NameN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride
SMILESCCC(C)(C)NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1.Cl
InChIInChI=1S/C19H23Cl2NO.ClH/c1-4-19(2,3)22-12-15-10-16(20)18(17(21)11-15)23-13-14-8-6-5-7-9-14;/h5-11,22H,4,12-13H2,1-3H3;1H
InChIKeyKDLZTZGJXCZZRF-UHFFFAOYSA-N
XLogP6.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.77
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17210800
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
2-[(3,5-dichloro-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17196015
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208311
2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 82550820
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 17158474
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 17155612
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylbutan-2-amine
CID 29226721
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 35698068
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117471245
N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126122230
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 35698685

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride?
The IUPAC name of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride (CID 17211012) is N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride.
What is the SMILES notation for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride?
The canonical SMILES for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride is CCC(C)(C)NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1.Cl.
What is the InChIKey of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride?
The InChIKey is KDLZTZGJXCZZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO.ClH/c1-4-19(2,3)22-12-15-10-16(20)18(17(21)11-15)23-13-14-8-6-5-7-9-14;/h5-11,22H,4,12-13H2,1-3H3;1H.
What are the key properties of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride?
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride has a molecular weight of 388.77 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride is sourced from PubChem (CID 17211012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).