1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine

C18H23ClN2 — CID 65379394

IUPAC1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(C(CN)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H23ClN2/c1-18(2,3)14-10-8-13(9-11-14)17(12-20)21-16-7-5-4-6-15(16)19/h4-11,17,21H,12,20H2,1-3H3
InChIKeySDVZGQKDWLEWBL-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.75
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine

1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine (PubChem CID 65379394) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
PubChem CID65379394
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(C(CN)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H23ClN2/c1-18(2,3)14-10-8-13(9-11-14)17(12-20)21-16-7-5-4-6-15(16)19/h4-11,17,21H,12,20H2,1-3H3
InChIKeySDVZGQKDWLEWBL-UHFFFAOYSA-N
XLogP4.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131040
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
CID 62066764
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65378148
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
CID 61048136
2-N-(2-chlorophenyl)butane-1,2-diamine
CID 65377716
N-(3-chloro-4-pyridinyl)-1-phenylethane-1,2-diamine
CID 79840947

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine (CID 65379394) is 1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine is CC(C)(C)c1ccc(C(CN)Nc2ccccc2Cl)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine?
The InChIKey is SDVZGQKDWLEWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-18(2,3)14-10-8-13(9-11-14)17(12-20)21-16-7-5-4-6-15(16)19/h4-11,17,21H,12,20H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine?
1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine has a molecular weight of 302.85 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65379394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).