2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol

C28H26Cl2N2O — CID 146568394

IUPAC2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol
SMILESOc1ccccc1C(NCCNC(c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C28H26Cl2N2O/c29-23-14-10-21(11-15-23)27(20-6-2-1-3-7-20)31-18-19-32-28(22-12-16-24(30)17-13-22)25-8-4-5-9-26(25)33/h1-17,27-28,31-33H,18-19H2
InChIKeyWZIIRMDNQJRUPL-UHFFFAOYSA-N
MW477.44 g/mol
LogP6.76
Rot. Bonds9

About 2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol

2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol (PubChem CID 146568394) has the molecular formula C28H26Cl2N2O and a molecular weight of 477.44 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol
PubChem CID146568394
Molecular FormulaC28H26Cl2N2O
Molecular Weight477.44 g/mol
Exact Mass476.14
IUPAC Name2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol
SMILESOc1ccccc1C(NCCNC(c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C28H26Cl2N2O/c29-23-14-10-21(11-15-23)27(20-6-2-1-3-7-20)31-18-19-32-28(22-12-16-24(30)17-13-22)25-8-4-5-9-26(25)33/h1-17,27-28,31-33H,18-19H2
InChIKeyWZIIRMDNQJRUPL-UHFFFAOYSA-N
XLogP6.76
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.44
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
CID 43494881
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
2-[[(4-chlorophenyl)-phenylmethyl]amino]propane-1,3-diol
CID 86784049
2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol
CID 122234675
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
2-[(3-aminopropylamino)-phenylmethyl]-5-methoxyphenol
CID 60889877
5-methoxy-2-[phenyl(propylamino)methyl]phenol
CID 24705349
2-[(1H-benzimidazol-2-ylmethylamino)-phenylmethyl]phenol
CID 139929849
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
CID 43494885

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol?
The IUPAC name of 2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol (CID 146568394) is 2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol.
What is the SMILES notation for 2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol?
The canonical SMILES for 2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol is Oc1ccccc1C(NCCNC(c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol?
The InChIKey is WZIIRMDNQJRUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N2O/c29-23-14-10-21(11-15-23)27(20-6-2-1-3-7-20)31-18-19-32-28(22-12-16-24(30)17-13-22)25-8-4-5-9-26(25)33/h1-17,27-28,31-33H,18-19H2.
What are the key properties of 2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol?
2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol has a molecular weight of 477.44 g/mol, XLogP of 6.76, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol is sourced from PubChem (CID 146568394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).