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

C15H27N3 — CID 103387469

IUPAC2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine
SMILESCCN(CC)Cc1ccccc1CNC(C)CN
InChIInChI=1S/C15H27N3/c1-4-18(5-2)12-15-9-7-6-8-14(15)11-17-13(3)10-16/h6-9,13,17H,4-5,10-12,16H2,1-3H3
InChIKeyLBFGIMWXLXMNJO-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.97
Rot. Bonds8

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

2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine (PubChem CID 103387469) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine
PubChem CID103387469
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine
SMILESCCN(CC)Cc1ccccc1CNC(C)CN
InChIInChI=1S/C15H27N3/c1-4-18(5-2)12-15-9-7-6-8-14(15)11-17-13(3)10-16/h6-9,13,17H,4-5,10-12,16H2,1-3H3
InChIKeyLBFGIMWXLXMNJO-UHFFFAOYSA-N
XLogP1.97
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
CID 103387459
(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 104867967
(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-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 63940458
4-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide
CID 80542266
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbutanamide
CID 61259162
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
3-[[2-(diethylaminomethyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 114897128

Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine (CID 103387469) is 2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine is CCN(CC)Cc1ccccc1CNC(C)CN.
What is the InChIKey of 2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine?
The InChIKey is LBFGIMWXLXMNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-18(5-2)12-15-9-7-6-8-14(15)11-17-13(3)10-16/h6-9,13,17H,4-5,10-12,16H2,1-3H3.
What are the key properties of 2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine?
2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 103387469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).