N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine

C16H28N2O — CID 55004588

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1ccccc1CN
InChIInChI=1S/C16H28N2O/c1-4-16(5-2)18(10-11-19-3)13-15-9-7-6-8-14(15)12-17/h6-9,16H,4-5,10-13,17H2,1-3H3
InChIKeySKJXVROVBZJKBA-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.78
Rot. Bonds9

About N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine

N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine (PubChem CID 55004588) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
PubChem CID55004588
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1ccccc1CN
InChIInChI=1S/C16H28N2O/c1-4-16(5-2)18(10-11-19-3)13-15-9-7-6-8-14(15)12-17/h6-9,16H,4-5,10-13,17H2,1-3H3
InChIKeySKJXVROVBZJKBA-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 107113299
N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine
CID 81322203
N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 76912160
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 114478718
2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 63816723
5-bromo-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]aniline
CID 79712411
3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 63075429
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 106993658
N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine
CID 175214401
N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001809
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyridin-3-ol
CID 82986415
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine (CID 55004588) is N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine is CCC(CC)N(CCOC)Cc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The InChIKey is SKJXVROVBZJKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-16(5-2)18(10-11-19-3)13-15-9-7-6-8-14(15)12-17/h6-9,16H,4-5,10-13,17H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine has a molecular weight of 264.41 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine is sourced from PubChem (CID 55004588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).