[4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride

C24H28ClNO — CID 172652324

IUPAC[4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride
SMILESCC(C)Cc1ccc(-c2ccc(CN)c(OCc3ccccc3)c2)cc1.Cl
InChIInChI=1S/C24H27NO.ClH/c1-18(2)14-19-8-10-21(11-9-19)22-12-13-23(16-25)24(15-22)26-17-20-6-4-3-5-7-20;/h3-13,15,18H,14,16-17,25H2,1-2H3;1H
InChIKeyCQLSUUAQNHCBMO-UHFFFAOYSA-N
MW381.95 g/mol
LogP6.01
Rot. Bonds7

About [4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride

[4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride (PubChem CID 172652324) has the molecular formula C24H28ClNO and a molecular weight of 381.95 g/mol. Its IUPAC name is [4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride
PubChem CID172652324
Molecular FormulaC24H28ClNO
Molecular Weight381.95 g/mol
Exact Mass381.19
IUPAC Name[4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride
SMILESCC(C)Cc1ccc(-c2ccc(CN)c(OCc3ccccc3)c2)cc1.Cl
InChIInChI=1S/C24H27NO.ClH/c1-18(2)14-19-8-10-21(11-9-19)22-12-13-23(16-25)24(15-22)26-17-20-6-4-3-5-7-20;/h3-13,15,18H,14,16-17,25H2,1-2H3;1H
InChIKeyCQLSUUAQNHCBMO-UHFFFAOYSA-N
XLogP6.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.95
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;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-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride
CID 172652279
[2-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride
CID 172652284
[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172650045
2-[4-(3-fluoro-4-phenylmethoxyphenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
CID 69207145
2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan
CID 19049290
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
1-(methoxymethyl)-4-[4-(2-methylpropyl)phenyl]benzene
CID 149288523
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
(2-methyl-6-phenylmethoxy-3-pyridinyl)methanamine
CID 79885210
(1R)-2-[4-(3-fluoro-4-phenylmethoxyphenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 69206362
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride?
The IUPAC name of [4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride (CID 172652324) is [4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride is CC(C)Cc1ccc(-c2ccc(CN)c(OCc3ccccc3)c2)cc1.Cl.
What is the InChIKey of [4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride?
The InChIKey is CQLSUUAQNHCBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO.ClH/c1-18(2)14-19-8-10-21(11-9-19)22-12-13-23(16-25)24(15-22)26-17-20-6-4-3-5-7-20;/h3-13,15,18H,14,16-17,25H2,1-2H3;1H.
What are the key properties of [4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride?
[4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylpropyl)phenyl]-2-phenylmethoxyphenyl]methanamine;hydrochloride is sourced from PubChem (CID 172652324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).