N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine

C23H26ClNO — CID 4722236

IUPACN-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C23H26ClNO/c1-2-3-8-15-25-16-21-20-11-6-4-9-18(20)13-14-23(21)26-17-19-10-5-7-12-22(19)24/h4-7,9-14,25H,2-3,8,15-17H2,1H3
InChIKeyQYBXQZYXDAYWAM-UHFFFAOYSA-N
MW367.92 g/mol
LogP6.35
Rot. Bonds9

About N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine

N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine (PubChem CID 4722236) has the molecular formula C23H26ClNO and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
PubChem CID4722236
Molecular FormulaC23H26ClNO
Molecular Weight367.92 g/mol
Exact Mass367.17
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C23H26ClNO/c1-2-3-8-15-25-16-21-20-11-6-4-9-18(20)13-14-23(21)26-17-19-10-5-7-12-22(19)24/h4-7,9-14,25H,2-3,8,15-17H2,1H3
InChIKeyQYBXQZYXDAYWAM-UHFFFAOYSA-N
XLogP6.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 56.35
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-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17291175
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207194
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 4717903
2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155181
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209602
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17054858
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724097
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215574
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
CID 17291027

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine (CID 4722236) is N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine is CCCCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine?
The InChIKey is QYBXQZYXDAYWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO/c1-2-3-8-15-25-16-21-20-11-6-4-9-18(20)13-14-23(21)26-17-19-10-5-7-12-22(19)24/h4-7,9-14,25H,2-3,8,15-17H2,1H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine?
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine has a molecular weight of 367.92 g/mol, XLogP of 6.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine is sourced from PubChem (CID 4722236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).