2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline

C15H25ClN2 — CID 81148770

IUPAC2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(CC)CCC)c(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-4-9-17-12-13-7-8-15(14(16)11-13)18(6-3)10-5-2/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyDWWIILTYTWOZPC-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.08
Rot. Bonds8

About 2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline

2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline (PubChem CID 81148770) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline
PubChem CID81148770
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(CC)CCC)c(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-4-9-17-12-13-7-8-15(14(16)11-13)18(6-3)10-5-2/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyDWWIILTYTWOZPC-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481491
4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
CID 81166516
2-[2-chloro-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 81148491
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
CID 63060006
N-[(4-bromo-3-chlorophenyl)methyl]propan-1-amine;fluoromethane
CID 142451886
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide
CID 106916783
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147195
2-chloro-N-(cyclopropylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]aniline
CID 81149933
3-[2-chloro-N-cyclobutyl-4-(propylaminomethyl)anilino]propan-1-ol
CID 102864703
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147968
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline?
The IUPAC name of 2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline (CID 81148770) is 2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline.
What is the SMILES notation for 2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline?
The canonical SMILES for 2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(CC)CCC)c(Cl)c1.
What is the InChIKey of 2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline?
The InChIKey is DWWIILTYTWOZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-4-9-17-12-13-7-8-15(14(16)11-13)18(6-3)10-5-2/h7-8,11,17H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline?
2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline has a molecular weight of 268.83 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline is sourced from PubChem (CID 81148770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).