N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine

C19H33NO3 — CID 19590756

IUPACN-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCCCCOc1ccc(CNCCCOC(C)C)cc1OCC
InChIInChI=1S/C19H33NO3/c1-5-7-12-23-18-10-9-17(14-19(18)21-6-2)15-20-11-8-13-22-16(3)4/h9-10,14,16,20H,5-8,11-13,15H2,1-4H3
InChIKeyASIVNHUVOLVGBC-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.17
Rot. Bonds13

About N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine

N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 19590756) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
PubChem CID19590756
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC NameN-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCCCCOc1ccc(CNCCCOC(C)C)cc1OCC
InChIInChI=1S/C19H33NO3/c1-5-7-12-23-18-10-9-17(14-19(18)21-6-2)15-20-11-8-13-22-16(3)4/h9-10,14,16,20H,5-8,11-13,15H2,1-4H3
InChIKeyASIVNHUVOLVGBC-UHFFFAOYSA-N
XLogP4.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.17
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-tert-butyl-2-[2-ethoxy-4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17208960
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol
CID 92921241
N-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methoxypropan-1-amine
CID 100555664
N-[(4-butan-2-yloxy-3-ethoxyphenyl)methyl]butan-1-amine
CID 132649786
(2R)-N-[(4-butoxy-3-ethoxyphenyl)methyl]butan-2-amine
CID 100555543
N-[(4-butoxy-3-ethoxyphenyl)methyl]butan-2-amine
CID 132649783
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
2-[4-[[3-(dibutylamino)propylamino]methyl]-2-ethoxyphenoxy]ethanol
CID 29242019
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 29227055

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine (CID 19590756) is N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine is CCCCOc1ccc(CNCCCOC(C)C)cc1OCC.
What is the InChIKey of N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is ASIVNHUVOLVGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-5-7-12-23-18-10-9-17(14-19(18)21-6-2)15-20-11-8-13-22-16(3)4/h9-10,14,16,20H,5-8,11-13,15H2,1-4H3.
What are the key properties of N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine?
N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 323.48 g/mol, XLogP of 4.17, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 19590756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).