N-butyl-3-(morpholin-4-ylmethyl)aniline

C15H24N2O — CID 174541370

IUPACN-butyl-3-(morpholin-4-ylmethyl)aniline
SMILESCCCCNc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C15H24N2O/c1-2-3-7-16-15-6-4-5-14(12-15)13-17-8-10-18-11-9-17/h4-6,12,16H,2-3,7-11,13H2,1H3
InChIKeyYJCXNOPWCGOKQL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.73
Rot. Bonds6

About N-butyl-3-(morpholin-4-ylmethyl)aniline

N-butyl-3-(morpholin-4-ylmethyl)aniline (PubChem CID 174541370) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-butyl-3-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-butyl-3-(morpholin-4-ylmethyl)aniline
PubChem CID174541370
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-butyl-3-(morpholin-4-ylmethyl)aniline
SMILESCCCCNc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C15H24N2O/c1-2-3-7-16-15-6-4-5-14(12-15)13-17-8-10-18-11-9-17/h4-6,12,16H,2-3,7-11,13H2,1H3
InChIKeyYJCXNOPWCGOKQL-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 151335568
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783
N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
CID 52751437
N-heptyl-3-(pyrazol-1-ylmethyl)aniline
CID 43738861
3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806895
N-butyl-4-morpholin-4-ylaniline
CID 28675754
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea
CID 4152907
3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 91650297
1-ethyl-3-hexyl-2-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111160860
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(morpholin-4-ylmethyl)aniline?
The IUPAC name of N-butyl-3-(morpholin-4-ylmethyl)aniline (CID 174541370) is N-butyl-3-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for N-butyl-3-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for N-butyl-3-(morpholin-4-ylmethyl)aniline is CCCCNc1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-butyl-3-(morpholin-4-ylmethyl)aniline?
The InChIKey is YJCXNOPWCGOKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-7-16-15-6-4-5-14(12-15)13-17-8-10-18-11-9-17/h4-6,12,16H,2-3,7-11,13H2,1H3.
What are the key properties of N-butyl-3-(morpholin-4-ylmethyl)aniline?
N-butyl-3-(morpholin-4-ylmethyl)aniline has a molecular weight of 248.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 174541370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).