N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine

C13H22N2 — CID 43272646

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1ccccc1CN
InChIInChI=1S/C13H22N2/c1-4-11(2)15(3)10-13-8-6-5-7-12(13)9-14/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyFFNDVPUJKVZHCT-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.38
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine

N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine (PubChem CID 43272646) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
PubChem CID43272646
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1ccccc1CN
InChIInChI=1S/C13H22N2/c1-4-11(2)15(3)10-13-8-6-5-7-12(13)9-14/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyFFNDVPUJKVZHCT-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine
CID 175214401
3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline
CID 107347223
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-butylpropanamide
CID 60922998
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 115463579
1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol
CID 65278136
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine
CID 62419080
N-benzyl-N-methylbutan-2-amine
CID 15496809
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide
CID 60922852
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylbutan-2-amine
CID 107113121

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine (CID 43272646) is N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine is CCC(C)N(C)Cc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine?
The InChIKey is FFNDVPUJKVZHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-11(2)15(3)10-13-8-6-5-7-12(13)9-14/h5-8,11H,4,9-10,14H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine?
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine is sourced from PubChem (CID 43272646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).