2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol

C15H25ClN2O — CID 81149182

IUPAC2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol
SMILESCCC(CC)N(CCO)c1ccc(CNC)cc1Cl
InChIInChI=1S/C15H25ClN2O/c1-4-13(5-2)18(8-9-19)15-7-6-12(11-17-3)10-14(15)16/h6-7,10,13,17,19H,4-5,8-9,11H2,1-3H3
InChIKeyDPLFRRIUJMPYHO-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.05
Rot. Bonds8

About 2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol

2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol (PubChem CID 81149182) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol.

Molecular Properties

Compound Name2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol
PubChem CID81149182
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol
SMILESCCC(CC)N(CCO)c1ccc(CNC)cc1Cl
InChIInChI=1S/C15H25ClN2O/c1-4-13(5-2)18(8-9-19)15-7-6-12(11-17-3)10-14(15)16/h6-7,10,13,17,19H,4-5,8-9,11H2,1-3H3
InChIKeyDPLFRRIUJMPYHO-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 81149224
1-[3-chloro-4-[2-hydroxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 62908529
2-[2-chloro-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 81148491
2-chloro-4-(methylaminomethyl)-N-pentyl-N-propan-2-ylaniline
CID 81149585
N-butan-2-yl-2-chloro-N-methyl-4-(methylaminomethyl)aniline
CID 81148692
2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 81149144
[3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 81152681
3-[2-chloro-N-propan-2-yl-4-[(propan-2-ylamino)methyl]anilino]propan-1-ol
CID 81148728
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline
CID 81148688
N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline
CID 62119982
3-[2-chloro-4-[(2-methylpropylamino)methyl]-N-propan-2-ylanilino]propan-1-ol
CID 81143287
2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 60980506

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol?
The IUPAC name of 2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol (CID 81149182) is 2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol.
What is the SMILES notation for 2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol?
The canonical SMILES for 2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol is CCC(CC)N(CCO)c1ccc(CNC)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol?
The InChIKey is DPLFRRIUJMPYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-4-13(5-2)18(8-9-19)15-7-6-12(11-17-3)10-14(15)16/h6-7,10,13,17,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol?
2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol has a molecular weight of 284.83 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol is sourced from PubChem (CID 81149182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).