N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline

C27H37NO — CID 138519618

IUPACN-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline
SMILESCCCCCCCCCN(Cc1cccc2c1CCC=C2)c1ccc(OC)cc1
InChIInChI=1S/C27H37NO/c1-3-4-5-6-7-8-11-21-28(25-17-19-26(29-2)20-18-25)22-24-15-12-14-23-13-9-10-16-27(23)24/h9,12-15,17-20H,3-8,10-11,16,21-22H2,1-2H3
InChIKeyUVMCCDGXSBYJIN-UHFFFAOYSA-N
MW391.60 g/mol
LogP7.41
Rot. Bonds12

About N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline

N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline (PubChem CID 138519618) has the molecular formula C27H37NO and a molecular weight of 391.60 g/mol. Its IUPAC name is N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline.

Molecular Properties

Compound NameN-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline
PubChem CID138519618
Molecular FormulaC27H37NO
Molecular Weight391.60 g/mol
Exact Mass391.29
IUPAC NameN-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline
SMILESCCCCCCCCCN(Cc1cccc2c1CCC=C2)c1ccc(OC)cc1
InChIInChI=1S/C27H37NO/c1-3-4-5-6-7-8-11-21-28(25-17-19-26(29-2)20-18-25)22-24-15-12-14-23-13-9-10-16-27(23)24/h9,12-15,17-20H,3-8,10-11,16,21-22H2,1-2H3
InChIKeyUVMCCDGXSBYJIN-UHFFFAOYSA-N
XLogP7.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline 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

N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline
CID 154621195
4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline
CID 154621185
N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline
CID 138518679
N-hexyl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 138518673
N-[(4-fluorophenyl)methyl]-N-hexyl-4-methoxyaniline
CID 154621350
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
N-[(4-bromocyclohexa-1,5-dien-1-yl)methyl]-N-decyl-4-methoxyaniline
CID 138519643
N-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)-4-methoxy-N-nonylaniline
CID 138519624
N-hexyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline
CID 138347503
4-methoxy-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-N-octylaniline
CID 142550061
N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 154621321
N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 28770933

Frequently Asked Questions

What is the IUPAC name of N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline?
The IUPAC name of N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline (CID 138519618) is N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline.
What is the SMILES notation for N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline?
The canonical SMILES for N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline is CCCCCCCCCN(Cc1cccc2c1CCC=C2)c1ccc(OC)cc1.
What is the InChIKey of N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline?
The InChIKey is UVMCCDGXSBYJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO/c1-3-4-5-6-7-8-11-21-28(25-17-19-26(29-2)20-18-25)22-24-15-12-14-23-13-9-10-16-27(23)24/h9,12-15,17-20H,3-8,10-11,16,21-22H2,1-2H3.
What are the key properties of N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline?
N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline has a molecular weight of 391.60 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline is sourced from PubChem (CID 138519618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).