1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine

C18H30N2O — CID 79057606

IUPAC1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1cc(C)ccc1C)N1CCOCC1
InChIInChI=1S/C18H30N2O/c1-5-18(4,20-8-10-21-11-9-20)17(19)13-16-12-14(2)6-7-15(16)3/h6-7,12,17H,5,8-11,13,19H2,1-4H3
InChIKeyRLNLNSLKLRQIMY-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.67
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine

1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine (PubChem CID 79057606) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
PubChem CID79057606
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1cc(C)ccc1C)N1CCOCC1
InChIInChI=1S/C18H30N2O/c1-5-18(4,20-8-10-21-11-9-20)17(19)13-16-12-14(2)6-7-15(16)3/h6-7,12,17H,5,8-11,13,19H2,1-4H3
InChIKeyRLNLNSLKLRQIMY-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-morpholin-4-yl-1-phenylpentan-2-amine
CID 79065628
1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057613
3-(2-amino-3-methyl-3-morpholin-4-ylpentyl)pyridin-2-amine
CID 79065403
1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 102857723
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79065554
[3-methyl-1-(2-methylphenyl)-3-morpholin-4-ylpentan-2-yl]hydrazine
CID 105241505
3-methyl-3-morpholin-4-ylheptan-4-amine
CID 79064955
2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol
CID 79065620
N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 60658264
3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylpentan-2-amine
CID 79761529
[2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine
CID 105241501
(2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 94693944

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine (CID 79057606) is 1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine is CCC(C)(C(N)Cc1cc(C)ccc1C)N1CCOCC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The InChIKey is RLNLNSLKLRQIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-18(4,20-8-10-21-11-9-20)17(19)13-16-12-14(2)6-7-15(16)3/h6-7,12,17H,5,8-11,13,19H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine is sourced from PubChem (CID 79057606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).