N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine

C12H20N2 — CID 43270951

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccc(CN)cc1
InChIInChI=1S/C12H20N2/c1-3-8-14(2)10-12-6-4-11(9-13)5-7-12/h4-7H,3,8-10,13H2,1-2H3
InChIKeyAJFCSXSHFMJDGT-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.99
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine

N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine (PubChem CID 43270951) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
PubChem CID43270951
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccc(CN)cc1
InChIInChI=1S/C12H20N2/c1-3-8-14(2)10-12-6-4-11(9-13)5-7-12/h4-7H,3,8-10,13H2,1-2H3
InChIKeyAJFCSXSHFMJDGT-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine
CID 80698741
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 54939511
ethyl 3-[[4-(aminomethyl)phenyl]methyl-methylamino]propanoate
CID 63380492
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
4-[[methyl(propyl)amino]methyl]benzenecarbothioamide
CID 43271278
N-[[5-(aminomethyl)-3-pyridinyl]methyl]-N-methylpropan-1-amine
CID 165449038
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine (CID 43270951) is N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine is CCCN(C)Cc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine?
The InChIKey is AJFCSXSHFMJDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-8-14(2)10-12-6-4-11(9-13)5-7-12/h4-7H,3,8-10,13H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine?
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 43270951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).