N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline

C17H19Cl2N — CID 43098941

IUPACN-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NC(C)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-11(2)13-5-4-6-15(9-13)20-12(3)16-10-14(18)7-8-17(16)19/h4-12,20H,1-3H3
InChIKeyITLQMLMHLQHCTL-UHFFFAOYSA-N
MW308.25 g/mol
LogP6.29
Rot. Bonds4

About N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline

N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline (PubChem CID 43098941) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline
PubChem CID43098941
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NC(C)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-11(2)13-5-4-6-15(9-13)20-12(3)16-10-14(18)7-8-17(16)19/h4-12,20H,1-3H3
InChIKeyITLQMLMHLQHCTL-UHFFFAOYSA-N
XLogP6.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(2,5-dichlorophenyl)ethylamino]phenol
CID 43100532
N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine
CID 43680270
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline
CID 43106779
2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450910
4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
CID 43110743
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline
CID 43106859
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344
2-[1-(3-propan-2-ylanilino)ethyl]benzene-1,4-diol
CID 43204592
(1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360674
N-[4-[1-(2,5-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43111675
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline?
The IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline (CID 43098941) is N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline is CC(C)c1cccc(NC(C)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline?
The InChIKey is ITLQMLMHLQHCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-11(2)13-5-4-6-15(9-13)20-12(3)16-10-14(18)7-8-17(16)19/h4-12,20H,1-3H3.
What are the key properties of N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline?
N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline has a molecular weight of 308.25 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline is sourced from PubChem (CID 43098941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).