N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine

C14H24N2 — CID 115201878

IUPACN'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine
SMILESCCc1ccc(CNCCCCNC)cc1
InChIInChI=1S/C14H24N2/c1-3-13-6-8-14(9-7-13)12-16-11-5-4-10-15-2/h6-9,15-16H,3-5,10-12H2,1-2H3
InChIKeyFAPRIHKZDBIBFE-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.34
Rot. Bonds8

About N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine

N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine (PubChem CID 115201878) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine
PubChem CID115201878
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine
SMILESCCc1ccc(CNCCCCNC)cc1
InChIInChI=1S/C14H24N2/c1-3-13-6-8-14(9-7-13)12-16-11-5-4-10-15-2/h6-9,15-16H,3-5,10-12H2,1-2H3
InChIKeyFAPRIHKZDBIBFE-UHFFFAOYSA-N
XLogP2.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.34
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-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine
CID 71765356
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17291031
N,N'-bis[3-[(4-ethylphenyl)methylamino]propyl]octane-1,8-diamine;tetrahydrochloride
CID 14791320
N'-[(4-tert-butylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201880
3-chloro-N-[(4-ethylphenyl)methyl]propan-1-amine
CID 60663290
N'-[(4-butan-2-ylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201902
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720014
N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine
CID 103220678
6-(4-ethylphenyl)-N-methylhexan-1-amine
CID 65308799
N-[(4-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79038802
2-bromo-N-[(4-ethylphenyl)methyl]ethanamine
CID 115572456

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine?
The IUPAC name of N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine (CID 115201878) is N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine?
The canonical SMILES for N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine is CCc1ccc(CNCCCCNC)cc1.
What is the InChIKey of N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine?
The InChIKey is FAPRIHKZDBIBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-13-6-8-14(9-7-13)12-16-11-5-4-10-15-2/h6-9,15-16H,3-5,10-12H2,1-2H3.
What are the key properties of N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine?
N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine is sourced from PubChem (CID 115201878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).