N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine

C16H28N2O — CID 62019095

IUPACN-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cc(CNCC)ccc1OC
InChIInChI=1S/C16H28N2O/c1-5-7-10-18(3)13-15-11-14(12-17-6-2)8-9-16(15)19-4/h8-9,11,17H,5-7,10,12-13H2,1-4H3
InChIKeyRREVSGZDUIGGNT-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.04
Rot. Bonds9

About N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine

N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine (PubChem CID 62019095) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine
PubChem CID62019095
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cc(CNCC)ccc1OC
InChIInChI=1S/C16H28N2O/c1-5-7-10-18(3)13-15-11-14(12-17-6-2)8-9-16(15)19-4/h8-9,11,17H,5-7,10,12-13H2,1-4H3
InChIKeyRREVSGZDUIGGNT-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 62017038
N-[[4-methoxy-3-[[methyl(pentyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62017224
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 62017221
N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205912
N-[[3-(2-butoxyethoxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 62017074
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 65340742
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595
N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide
CID 109003052
2-methoxy-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62019469
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62018369
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 115197907
N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine
CID 84746234

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine (CID 62019095) is N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1cc(CNCC)ccc1OC.
What is the InChIKey of N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine?
The InChIKey is RREVSGZDUIGGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-7-10-18(3)13-15-11-14(12-17-6-2)8-9-16(15)19-4/h8-9,11,17H,5-7,10,12-13H2,1-4H3.
What are the key properties of N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine?
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 62019095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).