2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline

C14H23ClN2 — CID 81148688

IUPAC2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline
SMILESCCNCc1ccc(N(CC)C(C)C)c(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-5-16-10-12-7-8-14(13(15)9-12)17(6-2)11(3)4/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyRSPYHVUTHNLCGD-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.68
Rot. Bonds6

About 2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline

2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline (PubChem CID 81148688) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline
PubChem CID81148688
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline
SMILESCCNCc1ccc(N(CC)C(C)C)c(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-5-16-10-12-7-8-14(13(15)9-12)17(6-2)11(3)4/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyRSPYHVUTHNLCGD-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.68
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

2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 81149614
2-[2-chloro-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 81148491
2-chloro-4-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 81149224
3-[2-chloro-4-[(2-methylpropylamino)methyl]-N-propan-2-ylanilino]propan-1-ol
CID 81143287
4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165839
4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165840
2-chloro-4-(methylaminomethyl)-N-pentyl-N-propan-2-ylaniline
CID 81149585
3-[2-chloro-N-propan-2-yl-4-[(propan-2-ylamino)methyl]anilino]propan-1-ol
CID 81148728
N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81149132
2-chloro-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]-N-propan-2-ylaniline
CID 81144148
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147968
2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline
CID 81148757

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline?
The IUPAC name of 2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline (CID 81148688) is 2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline?
The canonical SMILES for 2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline is CCNCc1ccc(N(CC)C(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline?
The InChIKey is RSPYHVUTHNLCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-5-16-10-12-7-8-14(13(15)9-12)17(6-2)11(3)4/h7-9,11,16H,5-6,10H2,1-4H3.
What are the key properties of 2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline?
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline has a molecular weight of 254.80 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 81148688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).