N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride

C19H24Cl3NO — CID 17291027

IUPACN-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl.Cl
InChIInChI=1S/C19H23Cl2NO.ClH/c1-2-3-6-11-22-13-16-12-17(20)9-10-19(16)23-14-15-7-4-5-8-18(15)21;/h4-5,7-10,12,22H,2-3,6,11,13-14H2,1H3;1H
InChIKeyBTGSPXBPZMLKKE-UHFFFAOYSA-N
MW388.77 g/mol
LogP6.27
Rot. Bonds9

About N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride

N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride (PubChem CID 17291027) has the molecular formula C19H24Cl3NO and a molecular weight of 388.77 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
PubChem CID17291027
Molecular FormulaC19H24Cl3NO
Molecular Weight388.77 g/mol
Exact Mass387.09
IUPAC NameN-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl.Cl
InChIInChI=1S/C19H23Cl2NO.ClH/c1-2-3-6-11-22-13-16-12-17(20)9-10-19(16)23-14-15-7-4-5-8-18(15)21;/h4-5,7-10,12,22H,2-3,6,11,13-14H2,1H3;1H
InChIKeyBTGSPXBPZMLKKE-UHFFFAOYSA-N
XLogP6.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290924
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716843
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716815
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295476
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17293135
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17291134
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]heptan-1-amine
CID 4716941
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236
2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155290

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride?
The IUPAC name of N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride (CID 17291027) is N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride?
The canonical SMILES for N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride is CCCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl.Cl.
What is the InChIKey of N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride?
The InChIKey is BTGSPXBPZMLKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO.ClH/c1-2-3-6-11-22-13-16-12-17(20)9-10-19(16)23-14-15-7-4-5-8-18(15)21;/h4-5,7-10,12,22H,2-3,6,11,13-14H2,1H3;1H.
What are the key properties of N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride?
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride has a molecular weight of 388.77 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride is sourced from PubChem (CID 17291027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).