N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine

C13H21NO — CID 43201033

IUPACN-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1ccc(OC)cc1
InChIInChI=1S/C13H21NO/c1-4-11(2)9-14-10-12-5-7-13(15-3)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyTZLCESIQXIFOIK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.83
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine

N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine (PubChem CID 43201033) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
PubChem CID43201033
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1ccc(OC)cc1
InChIInChI=1S/C13H21NO/c1-4-11(2)9-14-10-12-5-7-13(15-3)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyTZLCESIQXIFOIK-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 66091317
1-[(4-methoxyphenyl)methylamino]butan-2-ol
CID 23060649
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine
CID 10609197
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252801
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
CID 82533366
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine (CID 43201033) is N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine is CCC(C)CNCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is TZLCESIQXIFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(2)9-14-10-12-5-7-13(15-3)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine?
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 43201033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).