N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine

C21H29NO3 — CID 17209453

IUPACN-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine
SMILESCCOc1cc(CNCCCOC)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C21H29NO3/c1-4-24-21-14-19(15-22-12-5-13-23-3)10-11-20(21)25-16-18-8-6-17(2)7-9-18/h6-11,14,22H,4-5,12-13,15-16H2,1-3H3
InChIKeyNCALEUNABNRWIX-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.10
Rot. Bonds11

About N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine

N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine (PubChem CID 17209453) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine
PubChem CID17209453
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC NameN-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine
SMILESCCOc1cc(CNCCCOC)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C21H29NO3/c1-4-24-21-14-19(15-22-12-5-13-23-3)10-11-20(21)25-16-18-8-6-17(2)7-9-18/h6-11,14,22H,4-5,12-13,15-16H2,1-3H3
InChIKeyNCALEUNABNRWIX-UHFFFAOYSA-N
XLogP4.10
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.10
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-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methoxyethanamine;hydrochloride
CID 17055029
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 17054951
N-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methoxypropan-1-amine
CID 100555664
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4719473
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17055041
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17293936
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6471417
1-[2-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17055015
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-1-amine
CID 4722560
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]octan-1-amine
CID 4722733
4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63056902
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331216

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine (CID 17209453) is N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine is CCOc1cc(CNCCCOC)ccc1OCc1ccc(C)cc1.
What is the InChIKey of N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine?
The InChIKey is NCALEUNABNRWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-4-24-21-14-19(15-22-12-5-13-23-3)10-11-20(21)25-16-18-8-6-17(2)7-9-18/h6-11,14,22H,4-5,12-13,15-16H2,1-3H3.
What are the key properties of N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine?
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 17209453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).