N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine

C18H32N2O — CID 84746234

IUPACN-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccc(CNCC(C)C)c(OC)c1
InChIInChI=1S/C18H32N2O/c1-6-7-10-20(4)14-16-8-9-17(18(11-16)21-5)13-19-12-15(2)3/h8-9,11,15,19H,6-7,10,12-14H2,1-5H3
InChIKeyAKNMCKBXYUUKNS-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.67
Rot. Bonds10

About N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine

N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine (PubChem CID 84746234) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine
PubChem CID84746234
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccc(CNCC(C)C)c(OC)c1
InChIInChI=1S/C18H32N2O/c1-6-7-10-20(4)14-16-8-9-17(18(11-16)21-5)13-19-12-15(2)3/h8-9,11,15,19H,6-7,10,12-14H2,1-5H3
InChIKeyAKNMCKBXYUUKNS-UHFFFAOYSA-N
XLogP3.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
CID 62422254
2-[[3-methoxy-4-[(3-methylbutylamino)methyl]phenyl]methyl-methylamino]acetic acid
CID 84746152
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine
CID 62019095
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62418494
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63008493
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55091045
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 3537775
N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 82224262
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 62017038
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline
CID 84750591
2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline
CID 84754564
N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 63725478

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine (CID 84746234) is N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1ccc(CNCC(C)C)c(OC)c1.
What is the InChIKey of N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine?
The InChIKey is AKNMCKBXYUUKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-7-10-20(4)14-16-8-9-17(18(11-16)21-5)13-19-12-15(2)3/h8-9,11,15,19H,6-7,10,12-14H2,1-5H3.
What are the key properties of N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine?
N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 84746234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).