2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine

C14H24N2 — CID 62007965

IUPAC2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
SMILESCCN(Cc1cccc(C)c1)C(C)(C)CN
InChIInChI=1S/C14H24N2/c1-5-16(14(3,4)11-15)10-13-8-6-7-12(2)9-13/h6-9H,5,10-11,15H2,1-4H3
InChIKeyBRFWPNVKQGAEDP-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.55
Rot. Bonds5

About 2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine

2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine (PubChem CID 62007965) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
PubChem CID62007965
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
SMILESCCN(Cc1cccc(C)c1)C(C)(C)CN
InChIInChI=1S/C14H24N2/c1-5-16(14(3,4)11-15)10-13-8-6-7-12(2)9-13/h6-9H,5,10-11,15H2,1-4H3
InChIKeyBRFWPNVKQGAEDP-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N,3-triethyl-1-(3-methylphenyl)pentane-2,3-diamine
CID 79067400
2-methyl-2-[(3-methylphenyl)methoxy]propan-1-amine
CID 65053223
1-ethyl-3-methylbenzene;methanamine
CID 167447790
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 66180213
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 62010146
3,3,3-trifluoro-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61413979
2-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
2-tert-butyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 62363656
2-amino-2-cyclopropyl-N-ethyl-N-[(3-methylphenyl)methyl]propanamide
CID 54870952
N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine
CID 146018456

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine (CID 62007965) is 2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine is CCN(Cc1cccc(C)c1)C(C)(C)CN.
What is the InChIKey of 2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine?
The InChIKey is BRFWPNVKQGAEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-16(14(3,4)11-15)10-13-8-6-7-12(2)9-13/h6-9H,5,10-11,15H2,1-4H3.
What are the key properties of 2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine?
2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 62007965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).