N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline

C14H23ClN2 — CID 81149132

IUPACN-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
SMILESCCCCN(C)c1ccc(CNCC)cc1Cl
InChIInChI=1S/C14H23ClN2/c1-4-6-9-17(3)14-8-7-12(10-13(14)15)11-16-5-2/h7-8,10,16H,4-6,9,11H2,1-3H3
InChIKeyLDRGTITUUMVYEC-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.69
Rot. Bonds7

About N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline

N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline (PubChem CID 81149132) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline.

Molecular Properties

Compound NameN-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
PubChem CID81149132
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
SMILESCCCCN(C)c1ccc(CNCC)cc1Cl
InChIInChI=1S/C14H23ClN2/c1-4-6-9-17(3)14-8-7-12(10-13(14)15)11-16-5-2/h7-8,10,16H,4-6,9,11H2,1-3H3
InChIKeyLDRGTITUUMVYEC-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-[(tert-butylamino)methyl]-2-chloro-N-methylaniline
CID 81149131
2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 81149614
2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide
CID 81148812
2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 81149144
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 81146369
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide
CID 106916783
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232
N-[(3-bromophenyl)methyl]-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81148254
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline
CID 81148688
5-[2-chloro-N-methyl-4-[(propan-2-ylamino)methyl]anilino]pentan-1-ol
CID 107201277

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline?
The IUPAC name of N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline (CID 81149132) is N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline.
What is the SMILES notation for N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline?
The canonical SMILES for N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline is CCCCN(C)c1ccc(CNCC)cc1Cl.
What is the InChIKey of N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline?
The InChIKey is LDRGTITUUMVYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-6-9-17(3)14-8-7-12(10-13(14)15)11-16-5-2/h7-8,10,16H,4-6,9,11H2,1-3H3.
What are the key properties of N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline?
N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline has a molecular weight of 254.80 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline is sourced from PubChem (CID 81149132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).