N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine

C14H24N2 — CID 177368271

IUPACN'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine
SMILESCCc1ccccc1C(C)NCCCCN
InChIInChI=1S/C14H24N2/c1-3-13-8-4-5-9-14(13)12(2)16-11-7-6-10-15/h4-5,8-9,12,16H,3,6-7,10-11,15H2,1-2H3
InChIKeyCKJCABCTOVLUIC-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.64
Rot. Bonds7

About N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine

N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine (PubChem CID 177368271) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine
PubChem CID177368271
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine
SMILESCCc1ccccc1C(C)NCCCCN
InChIInChI=1S/C14H24N2/c1-3-13-8-4-5-9-14(13)12(2)16-11-7-6-10-15/h4-5,8-9,12,16H,3,6-7,10-11,15H2,1-2H3
InChIKeyCKJCABCTOVLUIC-UHFFFAOYSA-N
XLogP2.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.64
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-chlorophenyl)ethyl]butane-1,4-diamine
CID 60895776
N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
2-[1-(4-aminobutylamino)ethyl]-5-methylphenol
CID 60895616
N-[(1R)-1-(2-bromophenyl)ethyl]hexan-1-amine
CID 29285129
N-[(1S)-1-(2-bromophenyl)ethyl]octan-1-amine
CID 81383416
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
4-[1-(2-hydroxyphenyl)ethylamino]butanamide
CID 60863382
ethyl 2-(5-aminopentylamino)-4-phenylbutanoate
CID 70340285

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine?
The IUPAC name of N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine (CID 177368271) is N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine.
What is the SMILES notation for N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine?
The canonical SMILES for N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine is CCc1ccccc1C(C)NCCCCN.
What is the InChIKey of N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine?
The InChIKey is CKJCABCTOVLUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-13-8-4-5-9-14(13)12(2)16-11-7-6-10-15/h4-5,8-9,12,16H,3,6-7,10-11,15H2,1-2H3.
What are the key properties of N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine?
N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine is sourced from PubChem (CID 177368271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).