N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine

C16H26N2O — CID 65158366

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCN(CCCC1CCCO1)Cc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O/c1-18(10-2-4-16-5-3-11-19-16)13-15-8-6-14(12-17)7-9-15/h6-9,16H,2-5,10-13,17H2,1H3
InChIKeyFSQHTHVTTUWAGA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.54
Rot. Bonds7

About N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine

N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65158366) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID65158366
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCN(CCCC1CCCO1)Cc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O/c1-18(10-2-4-16-5-3-11-19-16)13-15-8-6-14(12-17)7-9-15/h6-9,16H,2-5,10-13,17H2,1H3
InChIKeyFSQHTHVTTUWAGA-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[methyl-[3-(oxolan-2-yl)propyl]amino]methyl]benzonitrile
CID 77079691
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
[4-(oxolan-2-ylmethyl)phenyl]methanamine
CID 174382096
N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 79652271
4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine
CID 65162618
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 124842324
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152460
4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
CID 135108533
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62557923
2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one
CID 99953838
6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 125445407

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine (CID 65158366) is N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine is CN(CCCC1CCCO1)Cc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is FSQHTHVTTUWAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(10-2-4-16-5-3-11-19-16)13-15-8-6-14(12-17)7-9-15/h6-9,16H,2-5,10-13,17H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine?
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.54, 7 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-methyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65158366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).