5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline

C14H24N2O — CID 113305237

IUPAC5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1ccc(OC)cc1N)C(C)C
InChIInChI=1S/C14H24N2O/c1-5-8-16(11(2)3)10-12-6-7-13(17-4)9-14(12)15/h6-7,9,11H,5,8,10,15H2,1-4H3
InChIKeyMFIIVBMRUHNGRL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.90
Rot. Bonds6

About 5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline

5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline (PubChem CID 113305237) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline.

Molecular Properties

Compound Name5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline
PubChem CID113305237
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1ccc(OC)cc1N)C(C)C
InChIInChI=1S/C14H24N2O/c1-5-8-16(11(2)3)10-12-6-7-13(17-4)9-14(12)15/h6-7,9,11H,5,8,10,15H2,1-4H3
InChIKeyMFIIVBMRUHNGRL-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189509
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline
CID 115413853
2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
CID 54878406
2-[(N-butylanilino)methyl]-5-methoxyaniline
CID 115414199
1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 43269486
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 62017221
5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline
CID 103339303
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
(2-amino-4-methoxyphenyl)methanesulfonic acid
CID 154180225
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 65325866

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline?
The IUPAC name of 5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline (CID 113305237) is 5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline.
What is the SMILES notation for 5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline?
The canonical SMILES for 5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline is CCCN(Cc1ccc(OC)cc1N)C(C)C.
What is the InChIKey of 5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline?
The InChIKey is MFIIVBMRUHNGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-8-16(11(2)3)10-12-6-7-13(17-4)9-14(12)15/h6-7,9,11H,5,8,10,15H2,1-4H3.
What are the key properties of 5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline?
5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline is sourced from PubChem (CID 113305237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).