2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline

C16H27ClN2 — CID 63533725

IUPAC2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc(C(C)NCC)cc1Cl)C(C)C
InChIInChI=1S/C16H27ClN2/c1-6-10-19(12(3)4)16-9-8-14(11-15(16)17)13(5)18-7-2/h8-9,11-13,18H,6-7,10H2,1-5H3
InChIKeyVRIRTZBDMJDPEN-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.64
Rot. Bonds7

About 2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline

2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline (PubChem CID 63533725) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline.

Molecular Properties

Compound Name2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline
PubChem CID63533725
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc(C(C)NCC)cc1Cl)C(C)C
InChIInChI=1S/C16H27ClN2/c1-6-10-19(12(3)4)16-9-8-14(11-15(16)17)13(5)18-7-2/h8-9,11-13,18H,6-7,10H2,1-5H3
InChIKeyVRIRTZBDMJDPEN-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.64
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,N-dibutyl-2-chloro-4-[1-(ethylamino)ethyl]aniline
CID 63532224
4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline
CID 55190463
2-chloro-N-(2-methylpropyl)-N-propan-2-yl-4-[1-(propylamino)ethyl]aniline
CID 63533144
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 55225305
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 63533729
4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 63532999
2-chloro-N-(3,3-dimethylbutan-2-yl)-4-[1-(ethylamino)ethyl]-N-methylaniline
CID 63533449
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660620
2-bromo-N-propan-2-yl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 63533861
2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline
CID 63532672
2-chloro-4-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 81149224
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline
CID 63534015

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline?
The IUPAC name of 2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline (CID 63533725) is 2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline.
What is the SMILES notation for 2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline?
The canonical SMILES for 2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline is CCCN(c1ccc(C(C)NCC)cc1Cl)C(C)C.
What is the InChIKey of 2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline?
The InChIKey is VRIRTZBDMJDPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-6-10-19(12(3)4)16-9-8-14(11-15(16)17)13(5)18-7-2/h8-9,11-13,18H,6-7,10H2,1-5H3.
What are the key properties of 2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline?
2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline has a molecular weight of 282.86 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline is sourced from PubChem (CID 63533725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).