4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline

C15H24N2O — CID 115237440

IUPAC4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline
SMILESCC(C)Cc1ccc(NCC2CNCCO2)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)9-13-3-5-14(6-4-13)17-11-15-10-16-7-8-18-15/h3-6,12,15-17H,7-11H2,1-2H3
InChIKeyMXWGOLRXHYZAMT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.29
Rot. Bonds5

About 4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline

4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline (PubChem CID 115237440) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline
PubChem CID115237440
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline
SMILESCC(C)Cc1ccc(NCC2CNCCO2)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)9-13-3-5-14(6-4-13)17-11-15-10-16-7-8-18-15/h3-6,12,15-17H,7-11H2,1-2H3
InChIKeyMXWGOLRXHYZAMT-UHFFFAOYSA-N
XLogP2.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline
CID 143867362
2-methyl-4-(morpholin-2-ylmethylamino)benzamide
CID 113287167
2-(4-ethylphenyl)-N-(morpholin-2-ylmethyl)ethanamine
CID 115237698
5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 115237502
N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
CID 115324252
N-(morpholin-2-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 130369631
5-(morpholin-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 115237456
2-chloro-4-(morpholin-2-ylmethylamino)benzamide
CID 115324268
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
N-(morpholin-2-ylmethyl)thiophen-2-amine
CID 115237433
N-[(4-methoxyphenyl)methyl]-1-morpholin-2-ylmethanamine
CID 115237605
1-N,4-N-bis(oxiran-2-ylmethyl)benzene-1,4-diamine
CID 19376084

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline?
The IUPAC name of 4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline (CID 115237440) is 4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline is CC(C)Cc1ccc(NCC2CNCCO2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline?
The InChIKey is MXWGOLRXHYZAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)9-13-3-5-14(6-4-13)17-11-15-10-16-7-8-18-15/h3-6,12,15-17H,7-11H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline?
4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline has a molecular weight of 248.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline is sourced from PubChem (CID 115237440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).