N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine

C25H44N2O2 — CID 19885135

IUPACN-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine
SMILESCCCCCCCCCOc1ccc(CCC(C)NCCN2CCOCC2)cc1
InChIInChI=1S/C25H44N2O2/c1-3-4-5-6-7-8-9-20-29-25-14-12-24(13-15-25)11-10-23(2)26-16-17-27-18-21-28-22-19-27/h12-15,23,26H,3-11,16-22H2,1-2H3
InChIKeyJFQSKDYVWAESAI-UHFFFAOYSA-N
MW404.64 g/mol
LogP5.06
Rot. Bonds16

About N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine

N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine (PubChem CID 19885135) has the molecular formula C25H44N2O2 and a molecular weight of 404.64 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine
PubChem CID19885135
Molecular FormulaC25H44N2O2
Molecular Weight404.64 g/mol
Exact Mass404.34
IUPAC NameN-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine
SMILESCCCCCCCCCOc1ccc(CCC(C)NCCN2CCOCC2)cc1
InChIInChI=1S/C25H44N2O2/c1-3-4-5-6-7-8-9-20-29-25-14-12-24(13-15-25)11-10-23(2)26-16-17-27-18-21-28-22-19-27/h12-15,23,26H,3-11,16-22H2,1-2H3
InChIKeyJFQSKDYVWAESAI-UHFFFAOYSA-N
XLogP5.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine
CID 19885256
N-(3-morpholin-4-ylpropyl)-4-(4-tetradecoxyphenyl)butan-2-amine;dihydrochloride
CID 19885294
N-(3-morpholin-4-ylpropyl)-4-(4-nonoxyphenyl)butan-2-amine;dihydrochloride
CID 19885255
4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806895
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028
1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 82073802
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060
4-(furan-2-yl)-N-(2-morpholin-4-ylethyl)butan-2-amine
CID 43393721
N-[(4-butoxyphenyl)methyl]morpholin-4-amine
CID 83012107
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
CID 43279821

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine (CID 19885135) is N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine is CCCCCCCCCOc1ccc(CCC(C)NCCN2CCOCC2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine?
The InChIKey is JFQSKDYVWAESAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O2/c1-3-4-5-6-7-8-9-20-29-25-14-12-24(13-15-25)11-10-23(2)26-16-17-27-18-21-28-22-19-27/h12-15,23,26H,3-11,16-22H2,1-2H3.
What are the key properties of N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine?
N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine has a molecular weight of 404.64 g/mol, XLogP of 5.06, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine is sourced from PubChem (CID 19885135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).