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

C12H20N2 — CID 60889520

IUPACN'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
SMILESCc1ccccc1C(C)NCCCN
InChIInChI=1S/C12H20N2/c1-10-6-3-4-7-12(10)11(2)14-9-5-8-13/h3-4,6-7,11,14H,5,8-9,13H2,1-2H3
InChIKeySBTIYKAWZDNJIV-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.99
Rot. Bonds5

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

N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine (PubChem CID 60889520) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
PubChem CID60889520
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
SMILESCc1ccccc1C(C)NCCCN
InChIInChI=1S/C12H20N2/c1-10-6-3-4-7-12(10)11(2)14-9-5-8-13/h3-4,6-7,11,14H,5,8-9,13H2,1-2H3
InChIKeySBTIYKAWZDNJIV-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
N-[1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43181577
N-[(1R)-1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28653117
4-[[(1S)-1-(2-methylphenyl)ethyl]amino]butanenitrile
CID 81374879
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 65092891
N-[(1S)-1-(2-methylphenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 81375092
N'-[1-(2-chlorophenyl)ethyl]butane-1,4-diamine
CID 60895776
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407
3,3-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 81375562

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine (CID 60889520) is N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine is Cc1ccccc1C(C)NCCCN.
What is the InChIKey of N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine?
The InChIKey is SBTIYKAWZDNJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-6-3-4-7-12(10)11(2)14-9-5-8-13/h3-4,6-7,11,14H,5,8-9,13H2,1-2H3.
What are the key properties of N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine?
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 60889520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).