2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline

C14H23ClN2 — CID 55001079

IUPAC2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline
SMILESCC(C)CC(C)N(C)Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H23ClN2/c1-10(2)7-11(3)17(4)9-12-5-6-13(15)14(16)8-12/h5-6,8,10-11H,7,9,16H2,1-4H3
InChIKeyJPNLSSGNQGQHNF-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.79
Rot. Bonds5

About 2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline

2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline (PubChem CID 55001079) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline
PubChem CID55001079
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline
SMILESCC(C)CC(C)N(C)Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H23ClN2/c1-10(2)7-11(3)17(4)9-12-5-6-13(15)14(16)8-12/h5-6,8,10-11H,7,9,16H2,1-4H3
InChIKeyJPNLSSGNQGQHNF-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 62979816
2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline
CID 43265322
5-[[butan-2-yl(ethyl)amino]methyl]-2-chloroaniline
CID 43274087
5-chloro-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyridin-2-amine
CID 55127544
[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol
CID 112631174
2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
CID 82985643
2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
CID 112657650
2-[(3-amino-4-chlorophenyl)methyl-propan-2-ylamino]acetamide
CID 54988874
N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 43613742
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine
CID 55001670
2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65485068
1-(3-amino-4-chlorophenyl)propane-2-sulfonamide
CID 91050582

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline?
The IUPAC name of 2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline (CID 55001079) is 2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline.
What is the SMILES notation for 2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline?
The canonical SMILES for 2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline is CC(C)CC(C)N(C)Cc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline?
The InChIKey is JPNLSSGNQGQHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-10(2)7-11(3)17(4)9-12-5-6-13(15)14(16)8-12/h5-6,8,10-11H,7,9,16H2,1-4H3.
What are the key properties of 2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline?
2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline has a molecular weight of 254.80 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline is sourced from PubChem (CID 55001079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).