N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine

C24H35NO3 — CID 54848693

IUPACN-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCCCCCCOc1c(CNCc2ccc(OC(C)C)cc2)cccc1OC
InChIInChI=1S/C24H35NO3/c1-5-6-7-8-16-27-24-21(10-9-11-23(24)26-4)18-25-17-20-12-14-22(15-13-20)28-19(2)3/h9-15,19,25H,5-8,16-18H2,1-4H3
InChIKeyJPOULHPDQHATGP-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.73
Rot. Bonds13

About N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine

N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 54848693) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID54848693
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC NameN-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCCCCCCOc1c(CNCc2ccc(OC(C)C)cc2)cccc1OC
InChIInChI=1S/C24H35NO3/c1-5-6-7-8-16-27-24-21(10-9-11-23(24)26-4)18-25-17-20-12-14-22(15-13-20)28-19(2)3/h9-15,19,25H,5-8,16-18H2,1-4H3
InChIKeyJPOULHPDQHATGP-UHFFFAOYSA-N
XLogP5.73
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848630
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
1-(4-tert-butylphenyl)-N-[(2-hexoxy-3-methoxyphenyl)methyl]methanamine
CID 54804594
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803574
N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848590
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 39422668
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 39355523

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine (CID 54848693) is N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine is CCCCCCOc1c(CNCc2ccc(OC(C)C)cc2)cccc1OC.
What is the InChIKey of N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is JPOULHPDQHATGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3/c1-5-6-7-8-16-27-24-21(10-9-11-23(24)26-4)18-25-17-20-12-14-22(15-13-20)28-19(2)3/h9-15,19,25H,5-8,16-18H2,1-4H3.
What are the key properties of N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 385.55 g/mol, XLogP of 5.73, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 54848693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).