N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine

C15H26N2O — CID 55001040

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
SMILESCCC(C)N(CCOC)Cc1ccc(CN)cc1
InChIInChI=1S/C15H26N2O/c1-4-13(2)17(9-10-18-3)12-15-7-5-14(11-16)6-8-15/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyNOAGDGNHQYOOHI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.39
Rot. Bonds8

About N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine

N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine (PubChem CID 55001040) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
PubChem CID55001040
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
SMILESCCC(C)N(CCOC)Cc1ccc(CN)cc1
InChIInChI=1S/C15H26N2O/c1-4-13(2)17(9-10-18-3)12-15-7-5-14(11-16)6-8-15/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyNOAGDGNHQYOOHI-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
CID 62463675
2-[4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105345880
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55072533
2-[4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenyl]propanoic acid
CID 105345879
6-[[butan-2-yl(2-methoxyethyl)amino]methyl]pyridin-2-amine
CID 79244015
N-[(4-iodophenyl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 65477533
3-[[butan-2-yl(2-methoxyethyl)amino]methyl]benzenecarbothioamide
CID 54999621
2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 82985781
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 54942276
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-methoxyphenol
CID 82986315
N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 61453087

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine (CID 55001040) is N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine is CCC(C)N(CCOC)Cc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine?
The InChIKey is NOAGDGNHQYOOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-13(2)17(9-10-18-3)12-15-7-5-14(11-16)6-8-15/h5-8,13H,4,9-12,16H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine?
N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine is sourced from PubChem (CID 55001040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).