N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine

C23H27NO — CID 66853441

IUPACN-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
SMILESCNCc1ccc2cc(OCCCCCc3ccccc3)ccc2c1
InChIInChI=1S/C23H27NO/c1-24-18-20-11-12-22-17-23(14-13-21(22)16-20)25-15-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,16-17,24H,3,6-7,10,15,18H2,1H3
InChIKeyHPFDKKPNXCZUDW-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.35
Rot. Bonds9

About N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine

N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine (PubChem CID 66853441) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
PubChem CID66853441
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC NameN-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
SMILESCNCc1ccc2cc(OCCCCCc3ccccc3)ccc2c1
InChIInChI=1S/C23H27NO/c1-24-18-20-11-12-22-17-23(14-13-21(22)16-20)25-15-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,16-17,24H,3,6-7,10,15,18H2,1H3
InChIKeyHPFDKKPNXCZUDW-UHFFFAOYSA-N
XLogP5.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.35
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

2-(3-phenylpropoxy)naphthalene
CID 13432986
N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine
CID 66689031
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
3-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-propylamino]propanoic acid
CID 23121570
6-(4-phenylbutoxy)naphthalene-2-carbaldehyde
CID 86087627
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689302
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
CID 10064569
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine (CID 66853441) is N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine is CNCc1ccc2cc(OCCCCCc3ccccc3)ccc2c1.
What is the InChIKey of N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine?
The InChIKey is HPFDKKPNXCZUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-24-18-20-11-12-22-17-23(14-13-21(22)16-20)25-15-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,16-17,24H,3,6-7,10,15,18H2,1H3.
What are the key properties of N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine?
N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine has a molecular weight of 333.48 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine is sourced from PubChem (CID 66853441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).