N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine

C14H24N2O — CID 60887585

IUPACN'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCCCCOc1ccc(CNCCN)cc1
InChIInChI=1S/C14H24N2O/c1-2-3-4-11-17-14-7-5-13(6-8-14)12-16-10-9-15/h5-8,16H,2-4,9-12,15H2,1H3
InChIKeyGBFXDMDRHMZMFU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.30
Rot. Bonds9

About N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine

N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 60887585) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID60887585
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCCCCOc1ccc(CNCCN)cc1
InChIInChI=1S/C14H24N2O/c1-2-3-4-11-17-14-7-5-13(6-8-14)12-16-10-9-15/h5-8,16H,2-4,9-12,15H2,1H3
InChIKeyGBFXDMDRHMZMFU-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
3-[(4-pentoxyphenyl)methylamino]propanamide
CID 43553209
N-[(4-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804818
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
2-ethylsulfinyl-N-[(4-pentoxyphenyl)methyl]ethanamine
CID 115632357
1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 28670478
N-[(4-pentoxyphenyl)methyl]prop-2-yn-1-amine
CID 29049488
2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
CID 17213255
2-methyl-4-[(4-nonoxyphenyl)methylamino]butanoic acid
CID 142267694
N-[(4-hexoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 54805408
2-[(4-octoxyphenyl)methylamino]acetaldehyde
CID 170224550
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431

Frequently Asked Questions

What is the IUPAC name of N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine (CID 60887585) is N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine is CCCCCOc1ccc(CNCCN)cc1.
What is the InChIKey of N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is GBFXDMDRHMZMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-4-11-17-14-7-5-13(6-8-14)12-16-10-9-15/h5-8,16H,2-4,9-12,15H2,1H3.
What are the key properties of N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine?
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 60887585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).