2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine

C13H23N3 — CID 103387459

IUPAC2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
SMILESCC(CN)NCc1ccccc1CN(C)C
InChIInChI=1S/C13H23N3/c1-11(8-14)15-9-12-6-4-5-7-13(12)10-16(2)3/h4-7,11,15H,8-10,14H2,1-3H3
InChIKeyUIDCLJBTIILKHE-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.18
Rot. Bonds6

About 2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine

2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine (PubChem CID 103387459) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
PubChem CID103387459
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
SMILESCC(CN)NCc1ccccc1CN(C)C
InChIInChI=1S/C13H23N3/c1-11(8-14)15-9-12-6-4-5-7-13(12)10-16(2)3/h4-7,11,15H,8-10,14H2,1-3H3
InChIKeyUIDCLJBTIILKHE-UHFFFAOYSA-N
XLogP1.18
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine
CID 103387469
(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 104867967
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate
CID 66172279
(2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine
CID 104867977
(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703552
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
CID 43203767
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine
CID 43203759
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300

Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine (CID 103387459) is 2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine is CC(CN)NCc1ccccc1CN(C)C.
What is the InChIKey of 2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine?
The InChIKey is UIDCLJBTIILKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(8-14)15-9-12-6-4-5-7-13(12)10-16(2)3/h4-7,11,15H,8-10,14H2,1-3H3.
What are the key properties of 2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine?
2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 103387459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).