N-[(4-butoxyphenyl)methyl]morpholin-4-amine

C15H24N2O2 — CID 83012107

IUPACN-[(4-butoxyphenyl)methyl]morpholin-4-amine
SMILESCCCCOc1ccc(CNN2CCOCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-2-3-10-19-15-6-4-14(5-7-15)13-16-17-8-11-18-12-9-17/h4-7,16H,2-3,8-13H2,1H3
InChIKeyXHDMOBBTRQZINK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.20
Rot. Bonds7

About N-[(4-butoxyphenyl)methyl]morpholin-4-amine

N-[(4-butoxyphenyl)methyl]morpholin-4-amine (PubChem CID 83012107) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]morpholin-4-amine
PubChem CID83012107
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(4-butoxyphenyl)methyl]morpholin-4-amine
SMILESCCCCOc1ccc(CNN2CCOCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-2-3-10-19-15-6-4-14(5-7-15)13-16-17-8-11-18-12-9-17/h4-7,16H,2-3,8-13H2,1H3
InChIKeyXHDMOBBTRQZINK-UHFFFAOYSA-N
XLogP2.20
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.20
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-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine
CID 83009256
N-[(4-iodophenyl)methyl]morpholin-4-amine
CID 83022461
N-(3-phenoxypropyl)morpholin-4-amine
CID 83021073
4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine
CID 115758007
N-[(4-ethoxyphenyl)methyl]-4-methylpiperidin-1-amine
CID 156786477
1-(4-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021074
N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine
CID 19885135
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]morpholin-4-amine?
The IUPAC name of N-[(4-butoxyphenyl)methyl]morpholin-4-amine (CID 83012107) is N-[(4-butoxyphenyl)methyl]morpholin-4-amine.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]morpholin-4-amine?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]morpholin-4-amine is CCCCOc1ccc(CNN2CCOCC2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]morpholin-4-amine?
The InChIKey is XHDMOBBTRQZINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-10-19-15-6-4-14(5-7-15)13-16-17-8-11-18-12-9-17/h4-7,16H,2-3,8-13H2,1H3.
What are the key properties of N-[(4-butoxyphenyl)methyl]morpholin-4-amine?
N-[(4-butoxyphenyl)methyl]morpholin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]morpholin-4-amine is sourced from PubChem (CID 83012107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).